CID 61398066

1247920-77-9

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C1CC1COC2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C12H14O3/c13-12(14)7-10-2-1-3-11(6-10)15-8-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H,13,14)

InChIKey

BHTUBVZDBCKLFO-UHFFFAOYSA-N

Compound name

2-[3-(cyclopropylmethoxy)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 206.0943 Da
Monoisotopic Mass: 2.2
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]+	207.10158	142.5
[M+Na]+	229.08352	151.0
[M-H]-	205.08702	148.8
[M+NH4]+	224.12812	156.0
[M+K]+	245.05746	147.9
[M+H-H2O]+	189.09156	136.0
[M+HCOO]-	251.09250	165.0
[M+CH3COO]-	265.10815	186.6
[M+Na-2H]-	227.06897	147.5
[M]+	206.09375	146.2
[M]-	206.09485	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe