CID 79770

5689-19-0

Structural Information

Molecular Formula

C₁₃H₁₆O

SMILES

C1CC1C(C2CC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C13H16O/c14-13(11-6-7-11,12-8-9-12)10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2

InChIKey

FOGMKFIZSXPVNT-UHFFFAOYSA-N

Compound name

dicyclopropyl(phenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 188.12012 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]+	189.12740	144.5
[M+Na]+	211.10934	150.9
[M-H]-	187.11284	152.7
[M+NH4]+	206.15394	152.2
[M+K]+	227.08328	149.1
[M+H-H2O]+	171.11738	138.7
[M+HCOO]-	233.11832	163.3
[M+CH3COO]-	247.13397	193.2
[M+Na-2H]-	209.09479	149.7
[M]+	188.11957	146.1
[M]-	188.12067	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe