CID 115288

2-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC2CC1CC2(C(=O)O)N
InChI
InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)
InChIKey
MPUVBVXDFRDIPT-UHFFFAOYSA-N
Compound name
2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

219
References

1543
Patents

155.09464 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 134.1
[M+Na]+ 178.08386 140.9
[M-H]- 154.08736 135.3
[M+NH4]+ 173.12846 160.8
[M+K]+ 194.05780 138.9
[M+H-H2O]+ 138.09190 130.8
[M+HCOO]- 200.09284 154.1
[M+CH3COO]- 214.10849 174.8
[M+Na-2H]- 176.06931 137.5
[M]+ 155.09409 130.1
[M]- 155.09519 130.1
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