CID 11366996

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

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1[C@@H]2[C@H]1[C@H](NC2)C(=O)O
InChI
InChI=1S/C6H9NO2/c8-6(9)5-4-1-3(4)2-7-5/h3-5,7H,1-2H2,(H,8,9)/t3-,4-,5-/m0/s1
InChIKey
JBDOTWVUXVXVDR-YUPRTTJUSA-N
Compound name
(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

127.06333 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 126.6
[M+Na]+ 150.052548 136.4
[M-H]- 126.056054 128.2
[M+NH4]+ 145.097153 144.0
[M+K]+ 166.026488 132.5
[M+H-H2O]+ 110.060590 121.5
[M+HCOO]- 172.061531 145.1
[M+CH3COO]- 186.077181 169.7
[M+Na-2H]- 148.037996 131.1
[M]+ 127.06278142 126.0
[M]- 127.06387858 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe