CID 117036

Alpha,alpha-dicyclopropyl-4-methylbenzyl alcohol

Structural Information

Molecular Formula

C₁₄H₁₈O

SMILES

CC1=CC=C(C=C1)C(C2CC2)(C3CC3)O

InChI

InChI=1S/C14H18O/c1-10-2-4-11(5-3-10)14(15,12-6-7-12)13-8-9-13/h2-5,12-13,15H,6-9H2,1H3

InChIKey

ZLDYBMZGEIJXHG-UHFFFAOYSA-N

Compound name

dicyclopropyl-(4-methylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 202.13577 Da
Monoisotopic Mass: 2.7
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]+	203.143046	147.6
[M+Na]+	225.124988	154.5
[M-H]-	201.128494	156.0
[M+NH4]+	220.169593	155.1
[M+K]+	241.098928	152.3
[M+H-H2O]+	185.133030	141.9
[M+HCOO]-	247.133971	166.2
[M+CH3COO]-	261.149621	196.5
[M+Na-2H]-	223.110436	151.9
[M]+	202.13522142	150.0
[M]-	202.13631858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe