CID 588800

3-methylquinoxaline-2-carbaldehyde

Structural Information

Molecular Formula
C10H8N2O
SMILES
CC1=NC2=CC=CC=C2N=C1C=O
InChI
InChI=1S/C10H8N2O/c1-7-10(6-13)12-9-5-3-2-4-8(9)11-7/h2-6H,1H3
InChIKey
AZIGGTBMCCWNPW-UHFFFAOYSA-N
Compound name
3-methylquinoxaline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

172.06366 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 133.8
[M+Na]+ 195.05288 144.6
[M-H]- 171.05638 136.2
[M+NH4]+ 190.09748 153.0
[M+K]+ 211.02682 141.1
[M+H-H2O]+ 155.06092 126.5
[M+HCOO]- 217.06186 155.8
[M+CH3COO]- 231.07751 180.6
[M+Na-2H]- 193.03833 143.5
[M]+ 172.06311 135.4
[M]- 172.06421 135.4
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