CID 110901

6552-45-0

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

COC1=CC=C(C=C1)C(C2CC2)O

InChI

InChI=1S/C11H14O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11-12H,2-3H2,1H3

InChIKey

BXGGHJJXFQJIDE-UHFFFAOYSA-N

Compound name

cyclopropyl-(4-methoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.09938 Da
Monoisotopic Mass: 1.8
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]+	179.106656	135.3
[M+Na]+	201.088598	144.0
[M-H]-	177.092104	141.8
[M+NH4]+	196.133203	150.1
[M+K]+	217.062538	141.4
[M+H-H2O]+	161.096640	129.1
[M+HCOO]-	223.097581	157.8
[M+CH3COO]-	237.113231	182.6
[M+Na-2H]-	199.074046	140.9
[M]+	178.09883142	137.9
[M]-	178.09992858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe