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]+ 134.06342 125.5
[M+Na]+ 156.04536 133.5
[M-H]- 132.04886 126.3
[M+NH4]+ 151.08996 147.7
[M+K]+ 172.01930 131.2
[M+H-H2O]+ 116.05340 121.1
[M+HCOO]- 178.05434 144.3
[M+CH3COO]- 192.06999 172.3
[M+Na-2H]- 154.03081 130.3
[M]+ 133.05559 126.4
[M]- 133.05669 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.