CID 10375475

3-amino-6,7-dimethyl-quinoxaline-2-carbonitrile

Structural Information

Molecular Formula
C11H10N4
SMILES
CC1=CC2=C(C=C1C)N=C(C(=N2)C#N)N
InChI
InChI=1S/C11H10N4/c1-6-3-8-9(4-7(6)2)15-11(13)10(5-12)14-8/h3-4H,1-2H3,(H2,13,15)
InChIKey
YKUZCQAIUNRBLE-UHFFFAOYSA-N
Compound name
3-amino-6,7-dimethylquinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

198.09055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.097826 144.9
[M+Na]+ 221.079768 157.1
[M-H]- 197.083274 146.1
[M+NH4]+ 216.124373 160.7
[M+K]+ 237.053708 152.0
[M+H-H2O]+ 181.087810 131.0
[M+HCOO]- 243.088751 162.6
[M+CH3COO]- 257.104401 156.2
[M+Na-2H]- 219.065216 150.9
[M]+ 198.09000142 139.7
[M]- 198.09109858 139.7
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.