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

174
Patents

117.06122 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 123.9
[M+Na]+ 140.05044 130.5
[M-H]- 116.05394 124.6
[M+NH4]+ 135.09504 146.7
[M+K]+ 156.02438 129.7
[M+H-H2O]+ 100.05848 119.1
[M+HCOO]- 162.05942 141.4
[M+CH3COO]- 176.07507 172.9
[M+Na-2H]- 138.03589 125.7
[M]+ 117.06067 123.9
[M]- 117.06177 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