CID 12255073

3-amino-2-cyanobut-2-enethioamide

Structural Information

Molecular Formula
C5H7N3S
SMILES
C/C(=C(\C#N)/C(=S)N)/N
InChI
InChI=1S/C5H7N3S/c1-3(7)4(2-6)5(8)9/h7H2,1H3,(H2,8,9)/b4-3-
InChIKey
JQWNLZOXXAMQLU-ARJAWSKDSA-N
Compound name
(Z)-3-amino-2-cyanobut-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

141.03607 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04335 137.7
[M+Na]+ 164.02529 145.1
[M-H]- 140.02879 138.1
[M+NH4]+ 159.06989 156.2
[M+K]+ 179.99923 144.1
[M+H-H2O]+ 124.03333 125.8
[M+HCOO]- 186.03427 150.8
[M+CH3COO]- 200.04992 190.3
[M+Na-2H]- 162.01074 136.5
[M]+ 141.03552 128.9
[M]- 141.03662 128.9
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