CID 146050354

2413847-89-7

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 177.1
[M+Na]+ 294.13119 173.8
[M+NH4]+ 289.17579 176.2
[M+K]+ 310.10513 172.1
[M-H]- 270.13469 170.1
[M+Na-2H]- 292.11664 174.3
[M]+ 271.14142 172.2
[M]- 271.14252 172.2
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.