CID 10888605

444807-95-8

Structural Information

Molecular Formula
C10H8N4
SMILES
CC1=CC2=C(C=C1)N=C(C(=N2)C#N)N
InChI
InChI=1S/C10H8N4/c1-6-2-3-7-8(4-6)13-9(5-11)10(12)14-7/h2-4H,1H3,(H2,12,14)
InChIKey
YZSDBHALUVSODG-UHFFFAOYSA-N
Compound name
3-amino-7-methylquinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

184.07489 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.082166 140.5
[M+Na]+ 207.064108 152.3
[M-H]- 183.067614 141.4
[M+NH4]+ 202.108713 156.5
[M+K]+ 223.038048 147.3
[M+H-H2O]+ 167.072150 126.4
[M+HCOO]- 229.073091 158.5
[M+CH3COO]- 243.088741 151.8
[M+Na-2H]- 205.049556 147.6
[M]+ 184.07434142 134.6
[M]- 184.07543858 134.6
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

No patent data available for this compound.