CID 12434

N,n-dimethylthioacetamide

Structural Information

Molecular Formula
C4H9NS
SMILES
CC(=S)N(C)C
InChI
InChI=1S/C4H9NS/c1-4(6)5(2)3/h1-3H3
InChIKey
LKNQXZAHNDFIQY-UHFFFAOYSA-N
Compound name
N,N-dimethylethanethioamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

556
Patents

103.04557 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05285 118.6
[M+Na]+ 126.03479 126.1
[M-H]- 102.03829 121.1
[M+NH4]+ 121.07939 142.8
[M+K]+ 142.00873 126.6
[M+H-H2O]+ 86.042830 113.8
[M+HCOO]- 148.04377 138.0
[M+CH3COO]- 162.05942 172.7
[M+Na-2H]- 124.02024 121.5
[M]+ 103.04502 120.2
[M]- 103.04612 120.2
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

No patent data available for this compound.