CID 87408181

Schembl2574226

Structural Information

Molecular Formula

C₁₅H₂₈O₂

SMILES

CCC/C=C/CCCCCCCCCC(=O)O

InChI

InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h4-5H,2-3,6-14H2,1H3,(H,16,17)/b5-4+

InChIKey

SFEDVCQDOVCREI-SNAWJCMRSA-N

Compound name

(E)-pentadec-11-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 240.20892 Da
Monoisotopic Mass: 5.6
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]+	241.216196	164.4
[M+Na]+	263.198138	167.9
[M-H]-	239.201644	161.7
[M+NH4]+	258.242743	181.4
[M+K]+	279.172078	164.6
[M+H-H2O]+	223.206180	158.6
[M+HCOO]-	285.207121	183.6
[M+CH3COO]-	299.222771	194.0
[M+Na-2H]-	261.183586	164.9
[M]+	240.20837142	168.0
[M]-	240.20946858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe