CID 14433464

N-methylpentanethioamide

Structural Information

Molecular Formula
C6H13NS
SMILES
CCCCC(=S)NC
InChI
InChI=1S/C6H13NS/c1-3-4-5-6(8)7-2/h3-5H2,1-2H3,(H,7,8)
InChIKey
NWZZXCVDVIJFQO-UHFFFAOYSA-N
Compound name
N-methylpentanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

131.07687 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 127.9
[M+Na]+ 154.066088 134.4
[M-H]- 130.069594 128.4
[M+NH4]+ 149.110693 150.3
[M+K]+ 170.040028 132.9
[M+H-H2O]+ 114.074130 122.9
[M+HCOO]- 176.075071 146.2
[M+CH3COO]- 190.090721 175.1
[M+Na-2H]- 152.051536 130.4
[M]+ 131.07632142 129.0
[M]- 131.07741858 129.0
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