CID 6447461

Trans-2-cinnamylaminoethanethiol

Structural Information

Molecular Formula
C11H15NS
SMILES
C1=CC=C(C=C1)/C=C/CNCCS
InChI
InChI=1S/C11H15NS/c13-10-9-12-8-4-7-11-5-2-1-3-6-11/h1-7,12-13H,8-10H2/b7-4+
InChIKey
UMWMNEZXCLULBG-QPJJXVBHSA-N
Compound name
2-[[(E)-3-phenylprop-2-enyl]amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09251 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09979 141.7
[M+Na]+ 216.08173 148.1
[M-H]- 192.08523 145.0
[M+NH4]+ 211.12633 161.5
[M+K]+ 232.05567 143.9
[M+H-H2O]+ 176.08977 135.3
[M+HCOO]- 238.09071 161.5
[M+CH3COO]- 252.10636 184.5
[M+Na-2H]- 214.06718 145.9
[M]+ 193.09196 142.9
[M]- 193.09306 142.9
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

No patent data available for this compound.