CID 562210

3-(benzyloxy)butan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC(CCO)OCC1=CC=CC=C1

InChI

InChI=1S/C11H16O2/c1-10(7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3

InChIKey

SEINCOLPXCLPDL-UHFFFAOYSA-N

Compound name

3-phenylmethoxybutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 180.11504 Da
Monoisotopic Mass: 1.7
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]+	181.122316	140.7
[M+Na]+	203.104258	146.6
[M-H]-	179.107764	142.6
[M+NH4]+	198.148863	160.0
[M+K]+	219.078198	144.8
[M+H-H2O]+	163.112300	134.8
[M+HCOO]-	225.113241	162.6
[M+CH3COO]-	239.128891	179.6
[M+Na-2H]-	201.089706	146.1
[M]+	180.11449142	141.7
[M]-	180.11558858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe