CID 20309595

N-(propan-2-yl)ethanethioamide

Structural Information

Molecular Formula
C5H11NS
SMILES
CC(C)NC(=S)C
InChI
InChI=1S/C5H11NS/c1-4(2)6-5(3)7/h4H,1-3H3,(H,6,7)
InChIKey
BOFBNSQUQQUDRF-UHFFFAOYSA-N
Compound name
N-propan-2-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

117.06122 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 123.9
[M+Na]+ 140.050438 130.5
[M-H]- 116.053944 124.6
[M+NH4]+ 135.095043 146.7
[M+K]+ 156.024378 129.7
[M+H-H2O]+ 100.058480 119.1
[M+HCOO]- 162.059421 141.4
[M+CH3COO]- 176.075071 172.9
[M+Na-2H]- 138.035886 125.7
[M]+ 117.06067142 123.9
[M]- 117.06176858 123.9
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