CID 156008

2-azabicyclo[2.1.1]hexane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1C2CC1(NC2)C(=O)O
InChI
InChI=1S/C6H9NO2/c8-5(9)6-1-4(2-6)3-7-6/h4,7H,1-3H2,(H,8,9)
InChIKey
XEVFXAFXZZYFSX-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2964
Patents

127.06333 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 133.7
[M+Na]+ 150.052548 139.6
[M-H]- 126.056054 131.3
[M+NH4]+ 145.097153 155.4
[M+K]+ 166.026488 140.5
[M+H-H2O]+ 110.060590 127.0
[M+HCOO]- 172.061531 148.3
[M+CH3COO]- 186.077181 170.9
[M+Na-2H]- 148.037996 140.6
[M]+ 127.06278142 143.2
[M]- 127.06387858 143.2
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