CID 33930

27536-05-6

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(=O)NC1=CC=CC2=C1CCN(C2)C
InChI
InChI=1S/C12H16N2O/c1-9(15)13-12-5-3-4-10-8-14(2)7-6-11(10)12/h3-5H,6-8H2,1-2H3,(H,13,15)
InChIKey
QBSCJGYBESVOAA-UHFFFAOYSA-N
Compound name
N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.12627 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 145.4
[M+Na]+ 227.115488 152.0
[M-H]- 203.118994 148.2
[M+NH4]+ 222.160093 164.1
[M+K]+ 243.089428 149.2
[M+H-H2O]+ 187.123530 138.4
[M+HCOO]- 249.124471 165.1
[M+CH3COO]- 263.140121 189.6
[M+Na-2H]- 225.100936 151.1
[M]+ 204.12572142 142.9
[M]- 204.12681858 142.9
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