CID 138987815

2305416-76-4

Structural Information

Molecular Formula
C12H19NO4
SMILES
C[C@]12C[C@]1(CN(C2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-10(2,3)17-9(16)13-6-11(4)5-12(11,7-13)8(14)15/h5-7H2,1-4H3,(H,14,15)/t11-,12+/m1/s1
InChIKey
KELWIBBVOGIPNM-NEPJUHHUSA-N
Compound name
(1S,5S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 158.7
[M+Na]+ 264.12063 168.1
[M-H]- 240.12413 161.5
[M+NH4]+ 259.16523 176.2
[M+K]+ 280.09457 166.6
[M+H-H2O]+ 224.12867 156.3
[M+HCOO]- 286.12961 173.9
[M+CH3COO]- 300.14526 191.1
[M+Na-2H]- 262.10608 163.1
[M]+ 241.13086 163.9
[M]- 241.13196 163.9
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.