CID 201366

2-allylaminoethanethiol

Structural Information

Molecular Formula
C5H11NS
SMILES
C=CCNCCS
InChI
InChI=1S/C5H11NS/c1-2-3-6-4-5-7/h2,6-7H,1,3-5H2
InChIKey
KSDBXCDLNZVTPJ-UHFFFAOYSA-N
Compound name
2-(prop-2-enylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

117.06122 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 124.1
[M+Na]+ 140.05044 134.0
[M+NH4]+ 135.09504 133.2
[M+K]+ 156.02438 125.6
[M-H]- 116.05394 125.1
[M+Na-2H]- 138.03589 128.1
[M]+ 117.06067 126.1
[M]- 117.06177 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe