CID 20495465

2-(prop-2-en-1-ylsulfanyl)ethan-1-amine

Structural Information

Molecular Formula
C5H11NS
SMILES
C=CCSCCN
InChI
InChI=1S/C5H11NS/c1-2-4-7-5-3-6/h2H,1,3-6H2
InChIKey
MMWBFUNZJZFKBS-UHFFFAOYSA-N
Compound name
2-prop-2-enylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

117.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 122.9
[M+Na]+ 140.050438 130.0
[M-H]- 116.053944 122.9
[M+NH4]+ 135.095043 145.5
[M+K]+ 156.024378 127.9
[M+H-H2O]+ 100.058480 118.0
[M+HCOO]- 162.059421 141.9
[M+CH3COO]- 176.075071 171.2
[M+Na-2H]- 138.035886 126.1
[M]+ 117.06067142 123.3
[M]- 117.06176858 123.3
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

patents stripe