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]+ 142.08626 128.0
[M+Na]+ 164.06820 133.1
[M-H]- 140.07170 128.2
[M+NH4]+ 159.11280 142.9
[M+K]+ 180.04214 134.1
[M+H-H2O]+ 124.07624 118.2
[M+HCOO]- 186.07718 144.3
[M+CH3COO]- 200.09283 172.1
[M+Na-2H]- 162.05365 131.1
[M]+ 141.07843 132.2
[M]- 141.07953 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.