CID 13442640

1,2,3,4-tetrahydroisoquinoline-2-carboxamide

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CN(CC2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C10H12N2O/c11-10(13)12-6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,11,13)
InChIKey
NCOFBBARJYKKNL-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isoquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

176.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 136.7
[M+Na]+ 199.084178 143.3
[M-H]- 175.087684 139.0
[M+NH4]+ 194.128783 155.9
[M+K]+ 215.058118 140.6
[M+H-H2O]+ 159.092220 129.9
[M+HCOO]- 221.093161 156.5
[M+CH3COO]- 235.108811 181.7
[M+Na-2H]- 197.069626 143.2
[M]+ 176.09441142 132.1
[M]- 176.09550858 132.1
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