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

19
Patents

141.03607 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.043346 137.7
[M+Na]+ 164.025288 145.1
[M-H]- 140.028794 138.1
[M+NH4]+ 159.069893 156.2
[M+K]+ 179.999228 144.1
[M+H-H2O]+ 124.033330 125.8
[M+HCOO]- 186.034271 150.8
[M+CH3COO]- 200.049921 190.3
[M+Na-2H]- 162.010736 136.5
[M]+ 141.03552142 128.9
[M]- 141.03661858 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