CID 6447462

Brn 5494382

Structural Information

Molecular Formula
C8H15NS
SMILES
C=CC/C=C/CNCCS
InChI
InChI=1S/C8H15NS/c1-2-3-4-5-6-9-7-8-10/h2,4-5,9-10H,1,3,6-8H2/b5-4+
InChIKey
UNMKOAIBHDDZSN-SNAWJCMRSA-N
Compound name
2-[[(2E)-hexa-2,5-dienyl]amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.09251 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09979 136.9
[M+Na]+ 180.08173 146.2
[M+NH4]+ 175.12633 145.2
[M+K]+ 196.05567 137.0
[M-H]- 156.08523 137.5
[M+Na-2H]- 178.06718 140.0
[M]+ 157.09196 138.6
[M]- 157.09306 138.6
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.