CID 6508615

1,10-heptadecadiene-5,7-diyn-3-ol, (e)-

Structural Information

Molecular Formula

C₁₇H₂₄O

SMILES

CCCCCC/C=C/CC#CC#CCC(C=C)O

InChI

InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,9-10,17-18H,2-3,5-8,11,16H2,1H3/b10-9+

InChIKey

FXXPOEXJAUWMMJ-MDZDMXLPSA-N

Compound name

(10E)-heptadeca-1,10-dien-5,7-diyn-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.18271 Da
Monoisotopic Mass: 5.2
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]+	245.189986	165.7
[M+Na]+	267.171928	173.4
[M-H]-	243.175434	165.2
[M+NH4]+	262.216533	177.1
[M+K]+	283.145868	168.0
[M+H-H2O]+	227.179970	152.1
[M+HCOO]-	289.180911	172.8
[M+CH3COO]-	303.196561	215.6
[M+Na-2H]-	265.157376	164.3
[M]+	244.18216142	158.5
[M]-	244.18325858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe