CID 6507248

Wl 19701

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
CCCS/C(=N\OC(=O)NC)/C
InChI
InChI=1S/C7H14N2O2S/c1-4-5-12-6(2)9-11-7(10)8-3/h4-5H2,1-3H3,(H,8,10)/b9-6-
InChIKey
ZCACJKWKIJNEKZ-TWGQIWQCSA-N
Compound name
propyl (1Z)-N-(methylcarbamoyloxy)ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08488 143.8
[M+Na]+ 213.06682 150.9
[M+NH4]+ 208.11142 150.7
[M+K]+ 229.04076 144.7
[M-H]- 189.07032 143.5
[M+Na-2H]- 211.05227 145.8
[M]+ 190.07705 144.8
[M]- 190.07815 144.8
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.