CID 102805

Dehydronerolidol

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC(=CCCC(=CCCC(C)(C#C)O)C)C

InChI

InChI=1S/C15H24O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h1,9,11,16H,7-8,10,12H2,2-5H3

InChIKey

ZNVPGYAGXVEAFP-UHFFFAOYSA-N

Compound name

3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 173
Patents: 220.18271 Da
Monoisotopic Mass: 4.1
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]+	221.18999	154.7
[M+Na]+	243.17193	162.9
[M+NH4]+	238.21653	157.3
[M+K]+	259.14587	154.7
[M-H]-	219.17543	144.8
[M+Na-2H]-	241.15738	153.2
[M]+	220.18216	152.0
[M]-	220.18326	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe