CID 45084820

4-aminobicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC2(CCC1(C2)C(=O)O)N
InChI
InChI=1S/C8H13NO2/c9-8-3-1-7(5-8,2-4-8)6(10)11/h1-5,9H2,(H,10,11)
InChIKey
MDYXIODNSNZLHX-UHFFFAOYSA-N
Compound name
4-aminobicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

155.09464 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 134.5
[M+Na]+ 178.08386 141.5
[M-H]- 154.08736 135.6
[M+NH4]+ 173.12846 162.9
[M+K]+ 194.05780 139.3
[M+H-H2O]+ 138.09190 131.6
[M+HCOO]- 200.09284 154.5
[M+CH3COO]- 214.10849 173.5
[M+Na-2H]- 176.06931 139.7
[M]+ 155.09409 130.6
[M]- 155.09519 130.6
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

patents stripe