CID 9576128

54266-80-7

Structural Information

Molecular Formula
C8H14N2O3S
SMILES
CCCC1/C(=N/OC(=O)NC)/SCO1
InChI
InChI=1S/C8H14N2O3S/c1-3-4-6-7(14-5-12-6)10-13-8(11)9-2/h6H,3-5H2,1-2H3,(H,9,11)/b10-7-
InChIKey
JDOFONHTNPZLDC-YFHOEESVSA-N
Compound name
[(Z)-(5-propyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.07251 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07979 149.9
[M+Na]+ 241.06173 156.5
[M+NH4]+ 236.10633 156.9
[M+K]+ 257.03567 152.4
[M-H]- 217.06523 152.1
[M+Na-2H]- 239.04718 151.5
[M]+ 218.07196 151.4
[M]- 218.07306 151.4
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.