CID 68760018

4-(cyclopropylmethoxy)-2-methylphenol

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC1=C(C=CC(=C1)OCC2CC2)O

InChI

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

InChIKey

DBEQHZFJJHKYET-UHFFFAOYSA-N

Compound name

4-(cyclopropylmethoxy)-2-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.09938 Da
Monoisotopic Mass: 2.1
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	135.4
[M+Na]+	201.088598	145.2
[M-H]-	177.092104	142.1
[M+NH4]+	196.133203	150.5
[M+K]+	217.062538	142.1
[M+H-H2O]+	161.096640	129.2
[M+HCOO]-	223.097581	158.8
[M+CH3COO]-	237.113231	182.9
[M+Na-2H]-	199.074046	141.4
[M]+	178.09883142	138.9
[M]-	178.09992858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe