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

20
Patents

131.07687 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 128.7
[M+Na]+ 154.066088 134.8
[M-H]- 130.069594 128.6
[M+NH4]+ 149.110693 150.6
[M+K]+ 170.040028 133.3
[M+H-H2O]+ 114.074130 123.7
[M+HCOO]- 176.075071 145.3
[M+CH3COO]- 190.090721 175.9
[M+Na-2H]- 152.051536 128.9
[M]+ 131.07632142 128.1
[M]- 131.07741858 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