CID 69501810

2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CNCC2=C1C(=CC=C2)CC(=O)N
InChI
InChI=1S/C11H14N2O/c12-11(14)6-8-2-1-3-9-7-13-5-4-10(8)9/h1-3,13H,4-7H2,(H2,12,14)
InChIKey
NKCDVKISFNKTNS-UHFFFAOYSA-N
Compound name
2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.11061 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 141.4
[M+Na]+ 213.09983 147.0
[M-H]- 189.10333 142.0
[M+NH4]+ 208.14443 159.2
[M+K]+ 229.07377 143.2
[M+H-H2O]+ 173.10787 134.6
[M+HCOO]- 235.10881 159.3
[M+CH3COO]- 249.12446 182.9
[M+Na-2H]- 211.08528 146.8
[M]+ 190.11006 135.4
[M]- 190.11116 135.4
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