CID 81797712

1556142-23-4

Structural Information

Molecular Formula
C9H8N4
SMILES
CN(CC#C)C1=NC=C(N=C1)C#N
InChI
InChI=1S/C9H8N4/c1-3-4-13(2)9-7-11-8(5-10)6-12-9/h1,6-7H,4H2,2H3
InChIKey
YFXLWALNUCXTLY-UHFFFAOYSA-N
Compound name
5-[methyl(prop-2-ynyl)amino]pyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07489 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.082166 145.1
[M+Na]+ 195.064108 153.9
[M-H]- 171.067614 145.7
[M+NH4]+ 190.108713 156.1
[M+K]+ 211.038048 151.6
[M+H-H2O]+ 155.072150 128.2
[M+HCOO]- 217.073091 155.6
[M+CH3COO]- 231.088741 214.1
[M+Na-2H]- 193.049556 148.1
[M]+ 172.07434142 136.8
[M]- 172.07543858 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.