CID 6447462

75606-34-7

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]+ 158.099786 134.8
[M+Na]+ 180.081728 141.0
[M-H]- 156.085234 134.9
[M+NH4]+ 175.126333 156.2
[M+K]+ 196.055668 137.9
[M+H-H2O]+ 140.089770 129.5
[M+HCOO]- 202.090711 153.8
[M+CH3COO]- 216.106361 179.5
[M+Na-2H]- 178.067176 137.5
[M]+ 157.09196142 136.6
[M]- 157.09305858 136.6
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.