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 134.8
[M+Na]+ 180.08173 141.0
[M-H]- 156.08523 134.9
[M+NH4]+ 175.12633 156.2
[M+K]+ 196.05567 137.9
[M+H-H2O]+ 140.08977 129.5
[M+HCOO]- 202.09071 153.8
[M+CH3COO]- 216.10636 179.5
[M+Na-2H]- 178.06718 137.5
[M]+ 157.09196 136.6
[M]- 157.09306 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.