CID 146050354

Rac-(1r,3r)-1-{[(tert-butoxy)carbonyl]amino}-3-hydroxyspiro[3.3]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N[C@@]1(C[C@H](C12CCC2)O)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(18)14-13(9(16)17)7-8(15)12(13)5-4-6-12/h8,15H,4-7H2,1-3H3,(H,14,18)(H,16,17)/t8-,13+/m1/s1
InChIKey
ABJPQYPGPPJUCI-OQPBUACISA-N
Compound name
(1R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 166.2
[M+Na]+ 294.13119 167.2
[M-H]- 270.13469 168.5
[M+NH4]+ 289.17579 171.2
[M+K]+ 310.10513 172.4
[M+H-H2O]+ 254.13923 153.7
[M+HCOO]- 316.14017 178.5
[M+CH3COO]- 330.15582 204.7
[M+Na-2H]- 292.11664 168.0
[M]+ 271.14142 181.1
[M]- 271.14252 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.