CID 224477

3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1C2C=CC1C(C2C(=O)O)N
InChI
InChI=1S/C8H11NO2/c9-7-5-2-1-4(3-5)6(7)8(10)11/h1-2,4-7H,3,9H2,(H,10,11)
InChIKey
FCYFJGGJCJDCPB-UHFFFAOYSA-N
Compound name
3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

153.07898 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 132.1
[M+Na]+ 176.06820 139.8
[M-H]- 152.07170 133.7
[M+NH4]+ 171.11280 157.2
[M+K]+ 192.04214 137.7
[M+H-H2O]+ 136.07624 128.3
[M+HCOO]- 198.07718 153.6
[M+CH3COO]- 212.09283 176.1
[M+Na-2H]- 174.05365 134.6
[M]+ 153.07843 129.6
[M]- 153.07953 129.6
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

No patent data available for this compound.