CID 20119135

4-methylpentanethioamide

Structural Information

Molecular Formula
C6H13NS
SMILES
CC(C)CCC(=S)N
InChI
InChI=1S/C6H13NS/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKey
LLPJKXFEWSFTAI-UHFFFAOYSA-N
Compound name
4-methylpentanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

131.07687 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08415 128.7
[M+Na]+ 154.06609 134.8
[M-H]- 130.06959 128.6
[M+NH4]+ 149.11069 150.6
[M+K]+ 170.04003 133.3
[M+H-H2O]+ 114.07413 123.7
[M+HCOO]- 176.07507 145.3
[M+CH3COO]- 190.09072 175.9
[M+Na-2H]- 152.05154 128.9
[M]+ 131.07632 128.1
[M]- 131.07742 128.1
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