CID 338030

5488-36-8

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1(C2=CC=CC=C2C(=O)NC1=O)C
InChI
InChI=1S/C11H11NO2/c1-11(2)8-6-4-3-5-7(8)9(13)12-10(11)14/h3-6H,1-2H3,(H,12,13,14)
InChIKey
VSRVOIDBBCKMTM-UHFFFAOYSA-N
Compound name
4,4-dimethylisoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

189.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.3
[M+Na]+ 212.06820 148.2
[M-H]- 188.07170 140.7
[M+NH4]+ 207.11280 159.5
[M+K]+ 228.04214 144.5
[M+H-H2O]+ 172.07624 132.8
[M+HCOO]- 234.07718 157.2
[M+CH3COO]- 248.09283 180.9
[M+Na-2H]- 210.05365 145.4
[M]+ 189.07843 136.5
[M]- 189.07953 136.5
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