CID 15451673

6-methylisoquinolin-1(2h)-one

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=CC2=C(C=C1)C(=O)NC=C2
InChI
InChI=1S/C10H9NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-6H,1H3,(H,11,12)
InChIKey
AVBPTIYKXNVKNJ-UHFFFAOYSA-N
Compound name
6-methyl-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

159.06842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 130.3
[M+Na]+ 182.05764 145.8
[M+NH4]+ 177.10224 139.8
[M+K]+ 198.03158 138.2
[M-H]- 158.06114 133.0
[M+Na-2H]- 180.04309 138.5
[M]+ 159.06787 133.4
[M]- 159.06897 133.4
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