CID 11309502

N,n-dimethyl-2-mercaptoacetamide

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

55
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 124.1
[M+Na]+ 142.02970 133.5
[M+NH4]+ 137.07430 132.9
[M+K]+ 158.00364 127.2
[M-H]- 118.03320 124.7
[M+Na-2H]- 140.01515 127.7
[M]+ 119.03993 125.9
[M]- 119.04103 125.9
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