CID 163321380

Rac-(1r,2s,5s)-3-azabicyclo[3.2.0]heptane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C[C@@H]2[C@H]1CN[C@@H]2C(=O)O
InChI
InChI=1S/C7H11NO2/c9-7(10)6-5-2-1-4(5)3-8-6/h4-6,8H,1-3H2,(H,9,10)/t4-,5-,6+/m1/s1
InChIKey
WGVSZLKCAUSBGO-PBXRRBTRSA-N
Compound name
(1R,2S,5S)-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 128.0
[M+Na]+ 164.068198 133.1
[M-H]- 140.071704 128.2
[M+NH4]+ 159.112803 142.9
[M+K]+ 180.042138 134.1
[M+H-H2O]+ 124.076240 118.2
[M+HCOO]- 186.077181 144.3
[M+CH3COO]- 200.092831 172.1
[M+Na-2H]- 162.053646 131.1
[M]+ 141.07843142 132.2
[M]- 141.07952858 132.2
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.