CID 21888155

1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
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

No literature data available for this compound.

Patent stripe

patents stripe