CID 132342258

2137788-84-0

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NC1CC2C1CC(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-10-6-7-4-8(11(15)16)5-9(7)10/h7-10H,4-6H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
JUEQEIOVZRBEEZ-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.2.0]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 161.0
[M+Na]+ 278.13628 163.7
[M-H]- 254.13978 163.4
[M+NH4]+ 273.18088 173.2
[M+K]+ 294.11022 166.0
[M+H-H2O]+ 238.14432 151.1
[M+HCOO]- 300.14526 176.8
[M+CH3COO]- 314.16091 198.1
[M+Na-2H]- 276.12173 161.1
[M]+ 255.14651 168.8
[M]- 255.14761 168.8
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.