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

511
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

literature stripe

Patent stripe

patents stripe