CID 137951812

2219375-08-1

Structural Information

Molecular Formula
C5H11NOS
SMILES
CS(=N)(=O)CCC=C
InChI
InChI=1S/C5H11NOS/c1-3-4-5-8(2,6)7/h3,6H,1,4-5H2,2H3
InChIKey
NELNGCGSWSWGHT-UHFFFAOYSA-N
Compound name
but-3-enyl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.05614 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.063416 125.5
[M+Na]+ 156.045358 133.5
[M-H]- 132.048864 126.3
[M+NH4]+ 151.089963 147.7
[M+K]+ 172.019298 131.2
[M+H-H2O]+ 116.053400 121.1
[M+HCOO]- 178.054341 144.3
[M+CH3COO]- 192.069991 172.3
[M+Na-2H]- 154.030806 130.3
[M]+ 133.05559142 126.4
[M]- 133.05668858 126.4
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.