CID 371713

Nsc646161

Structural Information

Molecular Formula
C4H9NOS
SMILES
CCC(=S)N(C)O
InChI
InChI=1S/C4H9NOS/c1-3-4(7)5(2)6/h6H,3H2,1-2H3
InChIKey
RUWZSNZMQDRXIR-UHFFFAOYSA-N
Compound name
N-hydroxy-N-methylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

119.04048 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04776 122.9
[M+Na]+ 142.02970 129.8
[M-H]- 118.03320 123.7
[M+NH4]+ 137.07430 145.6
[M+K]+ 158.00364 129.7
[M+H-H2O]+ 102.03774 118.1
[M+HCOO]- 164.03868 141.0
[M+CH3COO]- 178.05433 171.8
[M+Na-2H]- 140.01515 125.2
[M]+ 119.03993 124.0
[M]- 119.04103 124.0
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