CID 13883615

6z-heneicosen-11-ol

Structural Information

Molecular Formula

C₂₁H₄₂O

SMILES

CCCCCCCCCCC(CCC/C=C\CCCCC)O

InChI

InChI=1S/C21H42O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,21-22H,3-10,12,14-20H2,1-2H3/b13-11-

InChIKey

KQFXZKMDZTUIAI-QBFSEMIESA-N

Compound name

(Z)-henicos-6-en-11-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 310.32358 Da
Monoisotopic Mass: 8.8
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]+	311.33086	189.9
[M+Na]+	333.31280	190.6
[M-H]-	309.31630	186.1
[M+NH4]+	328.35740	204.3
[M+K]+	349.28674	185.9
[M+H-H2O]+	293.32084	183.1
[M+HCOO]-	355.32178	206.7
[M+CH3COO]-	369.33743	210.9
[M+Na-2H]-	331.29825	187.2
[M]+	310.32303	195.0
[M]-	310.32413	195.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe