CID 165947666

(1s,5s)-2-oxo-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1[C@H]2[C@@]1(C(=O)NC2)C(=O)O
InChI
InChI=1S/C6H7NO3/c8-4-6(5(9)10)1-3(6)2-7-4/h3H,1-2H2,(H,7,8)(H,9,10)/t3-,6+/m1/s1
InChIKey
QCFUKSXIOSVSSD-CVYQJGLWSA-N
Compound name
(1S,5S)-2-oxo-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 130.2
[M+Na]+ 164.031808 140.8
[M-H]- 140.035314 132.0
[M+NH4]+ 159.076413 148.7
[M+K]+ 180.005748 137.5
[M+H-H2O]+ 124.039850 126.3
[M+HCOO]- 186.040791 148.6
[M+CH3COO]- 200.056441 170.4
[M+Na-2H]- 162.017256 135.7
[M]+ 141.04204142 130.7
[M]- 141.04313858 130.7
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.