CID 42281414

5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CCC2=C(C=NC=C2C1)C(=O)O
InChI
InChI=1S/C10H11NO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h5-6H,1-4H2,(H,12,13)
InChIKey
FCCYYHPNRBUCBC-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 135.8
[M+Na]+ 200.06820 142.6
[M-H]- 176.07170 137.2
[M+NH4]+ 195.11280 154.7
[M+K]+ 216.04214 140.0
[M+H-H2O]+ 160.07624 129.4
[M+HCOO]- 222.07718 153.9
[M+CH3COO]- 236.09283 177.7
[M+Na-2H]- 198.05365 142.5
[M]+ 177.07843 132.6
[M]- 177.07953 132.6
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.