CID 23301564

228267-53-6

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C1CC1C2CC2C3=CC(=CC=C3)O

InChI

InChI=1S/C12H14O/c13-10-3-1-2-9(6-10)12-7-11(12)8-4-5-8/h1-3,6,8,11-13H,4-5,7H2

InChIKey

XNXAVPGZHRXBJZ-UHFFFAOYSA-N

Compound name

3-(2-cyclopropylcyclopropyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 174.10446 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]+	175.111736	140.8
[M+Na]+	197.093678	148.9
[M-H]-	173.097184	149.6
[M+NH4]+	192.138283	149.4
[M+K]+	213.067618	146.5
[M+H-H2O]+	157.101720	134.9
[M+HCOO]-	219.102661	161.1
[M+CH3COO]-	233.118311	151.8
[M+Na-2H]-	195.079126	144.8
[M]+	174.10391142	143.3
[M]-	174.10500858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe