CID 4178308

160346-57-6

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CNCC2=C1C=CC(=C2)C(=O)O
InChI
InChI=1S/C10H11NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)
InChIKey
CQNSOIKACZHLHP-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

122
Patents

177.07898 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 136.4
[M+Na]+ 200.068198 142.8
[M-H]- 176.071704 136.4
[M+NH4]+ 195.112803 154.6
[M+K]+ 216.042138 139.2
[M+H-H2O]+ 160.076240 130.3
[M+HCOO]- 222.077181 152.9
[M+CH3COO]- 236.092831 175.2
[M+Na-2H]- 198.053646 142.5
[M]+ 177.07843142 131.3
[M]- 177.07952858 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