CID 66045591

4-(methylsulfanyl)but-2-en-1-amine

Structural Information

Molecular Formula
C5H11NS
SMILES
CSC/C=C/CN
InChI
InChI=1S/C5H11NS/c1-7-5-3-2-4-6/h2-3H,4-6H2,1H3/b3-2+
InChIKey
MNIWAACBNNBBST-NSCUHMNNSA-N
Compound name
(E)-4-methylsulfanylbut-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

117.06122 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 123.1
[M+Na]+ 140.050438 130.3
[M-H]- 116.053944 123.2
[M+NH4]+ 135.095043 145.8
[M+K]+ 156.024378 128.2
[M+H-H2O]+ 100.058480 118.3
[M+HCOO]- 162.059421 142.2
[M+CH3COO]- 176.075071 170.6
[M+Na-2H]- 138.035886 126.3
[M]+ 117.06067142 123.4
[M]- 117.06176858 123.4
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.