CID 166220

72089-08-8

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

CC1=CCC(C1(C)C)CCC(C)CO

InChI

InChI=1S/C13H24O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h6,10,12,14H,5,7-9H2,1-4H3

InChIKey

CYVGAJHMMVDTDZ-UHFFFAOYSA-N

Compound name

2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 623
Patents: 196.18271 Da
Monoisotopic Mass: 3.4
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]+	197.189986	148.1
[M+Na]+	219.171928	154.8
[M-H]-	195.175434	150.3
[M+NH4]+	214.216533	171.2
[M+K]+	235.145868	152.6
[M+H-H2O]+	179.179970	144.1
[M+HCOO]-	241.180911	168.3
[M+CH3COO]-	255.196561	185.9
[M+Na-2H]-	217.157376	149.2
[M]+	196.18216142	148.7
[M]-	196.18325858	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe