CID 491327

3-isopropylquinoxalin-2(1h)-one

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC(C)C1=NC2=CC=CC=C2NC1=O
InChI
InChI=1S/C11H12N2O/c1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10/h3-7H,1-2H3,(H,13,14)
InChIKey
CWFPSKVBKAPBPV-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

44
Patents

188.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 139.6
[M+Na]+ 211.08418 149.2
[M-H]- 187.08768 140.6
[M+NH4]+ 206.12878 157.4
[M+K]+ 227.05812 145.1
[M+H-H2O]+ 171.09222 132.5
[M+HCOO]- 233.09316 158.7
[M+CH3COO]- 247.10881 181.9
[M+Na-2H]- 209.06963 147.0
[M]+ 188.09441 139.1
[M]- 188.09551 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe