CID 98258

33446-27-4

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

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

InChI

InChI=1S/C12H16O/c1-9-3-5-10(6-4-9)12(2,13)11-7-8-11/h3-6,11,13H,7-8H2,1-2H3

InChIKey

IJYCFWNBUFSFNP-UHFFFAOYSA-N

Compound name

1-cyclopropyl-1-(4-methylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 176.12012 Da
Monoisotopic Mass: 2.4
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]+	177.12740	135.8
[M+Na]+	199.10934	144.8
[M-H]-	175.11284	142.3
[M+NH4]+	194.15394	150.9
[M+K]+	215.08328	141.6
[M+H-H2O]+	159.11738	130.1
[M+HCOO]-	221.11832	157.3
[M+CH3COO]-	235.13397	183.1
[M+Na-2H]-	197.09479	142.7
[M]+	176.11957	137.5
[M]-	176.12067	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe