CID 3038304

Pyrazineacetamide, thio-

Structural Information

Molecular Formula
C6H7N3S
SMILES
C1=CN=C(C=N1)CC(=S)N
InChI
InChI=1S/C6H7N3S/c7-6(10)3-5-4-8-1-2-9-5/h1-2,4H,3H2,(H2,7,10)
InChIKey
QAZYHXFDWRNVCX-UHFFFAOYSA-N
Compound name
2-pyrazin-2-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

153.03607 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04335 128.6
[M+Na]+ 176.02529 137.0
[M-H]- 152.02879 129.4
[M+NH4]+ 171.06989 147.0
[M+K]+ 191.99923 133.8
[M+H-H2O]+ 136.03333 121.7
[M+HCOO]- 198.03427 145.9
[M+CH3COO]- 212.04992 175.6
[M+Na-2H]- 174.01074 133.3
[M]+ 153.03552 127.5
[M]- 153.03662 127.5
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