CID 11052481

63659-16-5

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

C1CC1COCCC2=CC=C(C=C2)O

InChI

InChI=1S/C12H16O2/c13-12-5-3-10(4-6-12)7-8-14-9-11-1-2-11/h3-6,11,13H,1-2,7-9H2

InChIKey

WNEQFDSWDCYKOE-UHFFFAOYSA-N

Compound name

4-[2-(cyclopropylmethoxy)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 49
Patents: 192.11504 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]+	193.122316	140.0
[M+Na]+	215.104258	148.5
[M-H]-	191.107764	146.2
[M+NH4]+	210.148863	154.3
[M+K]+	231.078198	145.3
[M+H-H2O]+	175.112300	133.4
[M+HCOO]-	237.113241	163.2
[M+CH3COO]-	251.128891	184.7
[M+Na-2H]-	213.089706	146.2
[M]+	192.11449142	143.5
[M]-	192.11558858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe