CID 39871602

6-((tert-butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-9-6-13(7-9)4-8(5-13)10(15)16/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
QFGQEEVKWSGRQJ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

255.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 159.6
[M+Na]+ 278.136278 160.5
[M-H]- 254.139784 162.9
[M+NH4]+ 273.180883 164.1
[M+K]+ 294.110218 166.0
[M+H-H2O]+ 238.144320 145.4
[M+HCOO]- 300.145261 173.3
[M+CH3COO]- 314.160911 205.1
[M+Na-2H]- 276.121726 160.8
[M]+ 255.14651142 174.5
[M]- 255.14760858 174.5
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

patents stripe