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

156
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

literature stripe

Patent stripe

patents stripe