CID 119899

28219-62-7

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

CC1=CCC(C1(C)C)CC=CC(C)O

InChI

InChI=1S/C13H22O/c1-10-8-9-12(13(10,3)4)7-5-6-11(2)14/h5-6,8,11-12,14H,7,9H2,1-4H3

InChIKey

URNLHHLCLTVYHH-UHFFFAOYSA-N

Compound name

5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 194.16707 Da
Monoisotopic Mass: 2.9
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]+	195.17435	146.8
[M+Na]+	217.15629	154.0
[M-H]-	193.15979	149.1
[M+NH4]+	212.20089	170.1
[M+K]+	233.13023	151.1
[M+H-H2O]+	177.16433	143.0
[M+HCOO]-	239.16527	167.3
[M+CH3COO]-	253.18092	184.4
[M+Na-2H]-	215.14174	148.0
[M]+	194.16652	146.7
[M]-	194.16762	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe