CID 166894

13720-37-1

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

CC1=CCCC(C1CCC(C)O)(C)C

InChI

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

InChIKey

OTXZMHLBFXFVPP-UHFFFAOYSA-N

Compound name

4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 32
Patents: 196.18271 Da
Monoisotopic Mass: 3.3
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]+	197.18999	148.1
[M+Na]+	219.17193	159.1
[M+NH4]+	214.21653	158.1
[M+K]+	235.14587	150.8
[M-H]-	195.17543	150.0
[M+Na-2H]-	217.15738	153.9
[M]+	196.18216	150.4
[M]-	196.18326	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe