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]+ 185.08217 140.5
[M+Na]+ 207.06411 152.3
[M-H]- 183.06761 141.4
[M+NH4]+ 202.10871 156.5
[M+K]+ 223.03805 147.3
[M+H-H2O]+ 167.07215 126.4
[M+HCOO]- 229.07309 158.5
[M+CH3COO]- 243.08874 151.8
[M+Na-2H]- 205.04956 147.6
[M]+ 184.07434 134.6
[M]- 184.07544 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.