CID 6385009

3-amino-2-butenethioamide

Structural Information

Molecular Formula
C4H8N2S
SMILES
C/C(=C/C(=S)N)/N
InChI
InChI=1S/C4H8N2S/c1-3(5)2-4(6)7/h2H,5H2,1H3,(H2,6,7)/b3-2-
InChIKey
IJUDUPSHUGIGMT-IHWYPQMZSA-N
Compound name
(Z)-3-aminobut-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

116.04082 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04810 123.4
[M+Na]+ 139.03004 129.8
[M-H]- 115.03354 123.0
[M+NH4]+ 134.07464 145.1
[M+K]+ 155.00398 127.6
[M+H-H2O]+ 99.038080 118.2
[M+HCOO]- 161.03902 141.0
[M+CH3COO]- 175.05467 172.4
[M+Na-2H]- 137.01549 123.9
[M]+ 116.04027 119.4
[M]- 116.04137 119.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe