CID 11309502

N,n-dimethyl-2-sulfanylacetamide

Structural Information

Molecular Formula
C4H9NOS
SMILES
CN(C)C(=O)CS
InChI
InChI=1S/C4H9NOS/c1-5(2)4(6)3-7/h7H,3H2,1-2H3
InChIKey
KJIZMZQPWFGTKV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

119.04048 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04776 122.2
[M+Na]+ 142.02970 129.6
[M-H]- 118.03320 124.6
[M+NH4]+ 137.07430 145.7
[M+K]+ 158.00364 130.4
[M+H-H2O]+ 102.03774 117.2
[M+HCOO]- 164.03868 141.9
[M+CH3COO]- 178.05433 174.6
[M+Na-2H]- 140.01515 125.1
[M]+ 119.03993 125.2
[M]- 119.04103 125.2
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