CID 171904435

(3z)-decenoyl-[acp]

Structural Information

Molecular Formula
C10H18OS
SMILES
CCCCCC/C=C\CC(=O)S
InChI
InChI=1S/C10H18OS/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7-
InChIKey
ZYIUUIOZMPZZHE-FPLPWBNLSA-N
Compound name
(Z)-dec-3-enethioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.10783 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.115106 143.6
[M+Na]+ 209.097048 149.6
[M-H]- 185.100554 143.5
[M+NH4]+ 204.141653 164.1
[M+K]+ 225.070988 147.0
[M+H-H2O]+ 169.105090 138.3
[M+HCOO]- 231.106031 160.2
[M+CH3COO]- 245.121681 183.5
[M+Na-2H]- 207.082496 143.9
[M]+ 186.10728142 147.8
[M]- 186.10837858 147.8
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.