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]+ 118.06850 122.9
[M+Na]+ 140.05044 130.0
[M-H]- 116.05394 122.9
[M+NH4]+ 135.09504 145.5
[M+K]+ 156.02438 127.9
[M+H-H2O]+ 100.05848 118.0
[M+HCOO]- 162.05942 141.9
[M+CH3COO]- 176.07507 171.2
[M+Na-2H]- 138.03589 126.1
[M]+ 117.06067 123.3
[M]- 117.06177 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