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]+ 142.04987 130.2
[M+Na]+ 164.03181 140.8
[M-H]- 140.03531 132.0
[M+NH4]+ 159.07641 148.7
[M+K]+ 180.00575 137.5
[M+H-H2O]+ 124.03985 126.3
[M+HCOO]- 186.04079 148.6
[M+CH3COO]- 200.05644 170.4
[M+Na-2H]- 162.01726 135.7
[M]+ 141.04204 130.7
[M]- 141.04314 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.