CID 39872459

(1s)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C[C@@]2(C[C@H]1NC2)C(=O)O
InChI
InChI=1S/C7H11NO2/c9-6(10)7-2-1-5(3-7)8-4-7/h5,8H,1-4H2,(H,9,10)/t5-,7-/m0/s1
InChIKey
GSEADFBJEDRQEZ-FSPLSTOPSA-N
Compound name
(1S,4S)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

141.07898 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 131.7
[M+Na]+ 164.06820 138.5
[M-H]- 140.07170 130.5
[M+NH4]+ 159.11280 157.2
[M+K]+ 180.04214 136.4
[M+H-H2O]+ 124.07624 127.7
[M+HCOO]- 186.07718 148.9
[M+CH3COO]- 200.09283 166.6
[M+Na-2H]- 162.05365 136.0
[M]+ 141.07843 127.4
[M]- 141.07953 127.4
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.