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

199
Patents

159.06842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 129.4
[M+Na]+ 182.057638 139.7
[M-H]- 158.061144 132.0
[M+NH4]+ 177.102243 149.9
[M+K]+ 198.031578 135.6
[M+H-H2O]+ 142.065680 123.5
[M+HCOO]- 204.066621 151.3
[M+CH3COO]- 218.082271 143.5
[M+Na-2H]- 180.043086 138.7
[M]+ 159.06787142 128.7
[M]- 159.06896858 128.7
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