CID 21897222

5-(methylthio)pyrazin-2-amine

Structural Information

Molecular Formula
C5H7N3S
SMILES
CSC1=NC=C(N=C1)N
InChI
InChI=1S/C5H7N3S/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3,(H2,6,7)
InChIKey
IPBKLPYWVRTALX-UHFFFAOYSA-N
Compound name
5-methylsulfanylpyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

141.03607 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04335 124.6
[M+Na]+ 164.02529 134.4
[M-H]- 140.02879 125.8
[M+NH4]+ 159.06989 144.0
[M+K]+ 179.99923 131.5
[M+H-H2O]+ 124.03333 118.0
[M+HCOO]- 186.03427 143.0
[M+CH3COO]- 200.04992 173.7
[M+Na-2H]- 162.01074 130.1
[M]+ 141.03552 124.9
[M]- 141.03662 124.9
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

patents stripe