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]+ 118.06850 123.1
[M+Na]+ 140.05044 130.3
[M-H]- 116.05394 123.2
[M+NH4]+ 135.09504 145.8
[M+K]+ 156.02438 128.2
[M+H-H2O]+ 100.05848 118.3
[M+HCOO]- 162.05942 142.2
[M+CH3COO]- 176.07507 170.6
[M+Na-2H]- 138.03589 126.3
[M]+ 117.06067 123.4
[M]- 117.06177 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.