CID 95489

1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1C(NCC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)
InChIKey
BWKMGYQJPOAASG-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

61
References

20993
Patents

177.07898 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.4
[M+Na]+ 200.06820 142.8
[M-H]- 176.07170 136.4
[M+NH4]+ 195.11280 154.6
[M+K]+ 216.04214 139.2
[M+H-H2O]+ 160.07624 130.3
[M+HCOO]- 222.07718 152.9
[M+CH3COO]- 236.09283 175.2
[M+Na-2H]- 198.05365 142.5
[M]+ 177.07843 131.3
[M]- 177.07953 131.3
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