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

3
Patents

117.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 124.0
[M+Na]+ 140.05044 133.5
[M+NH4]+ 135.09504 132.9
[M+K]+ 156.02438 125.4
[M-H]- 116.05394 124.7
[M+Na-2H]- 138.03589 127.5
[M]+ 117.06067 125.8
[M]- 117.06177 125.8
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