CID 92645

57069-87-1

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

CC(CCC1C(=C)C=CCC1(C)C)O

InChI

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

InChIKey

MLNIJFIYPHXCKI-UHFFFAOYSA-N

Compound name

4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 194.16707 Da
Monoisotopic Mass: 3.2
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]+	195.17435	147.5
[M+Na]+	217.15629	158.5
[M+NH4]+	212.20089	157.2
[M+K]+	233.13023	150.1
[M-H]-	193.15979	149.1
[M+Na-2H]-	215.14174	153.1
[M]+	194.16652	149.6
[M]-	194.16762	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe