CID 13847902

2-pentadecylphenol

Structural Information

Molecular Formula

C₂₁H₃₆O

SMILES

CCCCCCCCCCCCCCCC1=CC=CC=C1O

InChI

InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)22/h15-16,18-19,22H,2-14,17H2,1H3

InChIKey

RGDDVTHQUAQTIE-UHFFFAOYSA-N

Compound name

2-pentadecylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1373
Patents: 304.2766 Da
Monoisotopic Mass: 9.4
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]+	305.28388	182.2
[M+Na]+	327.26582	184.9
[M-H]-	303.26932	182.3
[M+NH4]+	322.31042	196.7
[M+K]+	343.23976	179.6
[M+H-H2O]+	287.27386	174.6
[M+HCOO]-	349.27480	201.4
[M+CH3COO]-	363.29045	208.0
[M+Na-2H]-	325.25127	182.6
[M]+	304.27605	186.4
[M]-	304.27715	186.4

Literature stripe

literature stripe

Patent stripe

patents stripe