CID 54595669

5-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=C2CCNC(C2=CC=C1)C(=O)O
InChI
InChI=1S/C11H13NO2/c1-7-3-2-4-9-8(7)5-6-12-10(9)11(13)14/h2-4,10,12H,5-6H2,1H3,(H,13,14)
InChIKey
XJJVZQAVNSNXPG-UHFFFAOYSA-N
Compound name
5-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.9
[M+Na]+ 214.083858 147.8
[M-H]- 190.087364 141.1
[M+NH4]+ 209.128463 158.9
[M+K]+ 230.057798 144.1
[M+H-H2O]+ 174.091900 134.9
[M+HCOO]- 236.092841 157.1
[M+CH3COO]- 250.108491 179.4
[M+Na-2H]- 212.069306 145.8
[M]+ 191.09409142 136.6
[M]- 191.09518858 136.6
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.