CID 6913043

Einecs 236-829-1

Structural Information

Molecular Formula

C₁₄H₂₈O₃S

SMILES

CCCCCCCCCCCC/C=C\S(=O)(=O)O

InChI

InChI=1S/C14H28O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h13-14H,2-12H2,1H3,(H,15,16,17)/b14-13-

InChIKey

GHYAHFJIQRUUFA-YPKPFQOOSA-N

Compound name

(Z)-tetradec-1-ene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 276.1759 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.18318	168.4
[M+Na]+	299.16512	172.8
[M-H]-	275.16862	166.0
[M+NH4]+	294.20972	184.5
[M+K]+	315.13906	168.4
[M+H-H2O]+	259.17316	162.6
[M+HCOO]-	321.17410	182.4
[M+CH3COO]-	335.18975	195.4
[M+Na-2H]-	297.15057	168.3
[M]+	276.17535	174.4
[M]-	276.17645	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe