CID 5282765

17z-octadecenoic acid

Structural Information

Molecular Formula

C₂₀H₃₈O₂

SMILES

CC/C=C\CCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4H,2,5-19H2,1H3,(H,21,22)/b4-3-

InChIKey

ZOKDQRULUYMUFA-ARJAWSKDSA-N

Compound name

(Z)-icos-17-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 310.28717 Da
Monoisotopic Mass: 8.3
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]+	311.294446	186.8
[M+Na]+	333.276388	188.2
[M-H]-	309.279894	183.1
[M+NH4]+	328.320993	200.9
[M+K]+	349.250328	183.5
[M+H-H2O]+	293.284430	179.9
[M+HCOO]-	355.285371	204.3
[M+CH3COO]-	369.301021	209.0
[M+Na-2H]-	331.261836	184.6
[M]+	310.28662142	192.2
[M]-	310.28771858	192.2

Literature stripe

literature stripe

Patent stripe

patents stripe