CID 3034562

3-iminobutanethioamide

Structural Information

Molecular Formula
C4H8N2S
SMILES
CC(=N)CC(=S)N
InChI
InChI=1S/C4H8N2S/c1-3(5)2-4(6)7/h5H,2H2,1H3,(H2,6,7)
InChIKey
WTLPHPYGHRSUHK-UHFFFAOYSA-N
Compound name
3-iminobutanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

116.04082 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04810 122.9
[M+Na]+ 139.03004 129.2
[M-H]- 115.03354 123.0
[M+NH4]+ 134.07464 144.8
[M+K]+ 155.00398 127.4
[M+H-H2O]+ 99.038080 117.7
[M+HCOO]- 161.03902 141.1
[M+CH3COO]- 175.05467 173.8
[M+Na-2H]- 137.01549 124.4
[M]+ 116.04027 119.9
[M]- 116.04137 119.9
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