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

37
Patents

117.06122 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 122.5
[M+Na]+ 140.050438 129.6
[M-H]- 116.053944 123.1
[M+NH4]+ 135.095043 145.4
[M+K]+ 156.024378 127.9
[M+H-H2O]+ 100.058480 117.7
[M+HCOO]- 162.059421 142.2
[M+CH3COO]- 176.075071 172.0
[M+Na-2H]- 138.035886 126.7
[M]+ 117.06067142 123.9
[M]- 117.06176858 123.9
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