CID 3022871

Dodecyl-1-naphthol

Structural Information

Molecular Formula

C₂₂H₃₂O

SMILES

CCCCCCCCCCCCC1=C(C2=CC=CC=C2C=C1)O

InChI

InChI=1S/C22H32O/c1-2-3-4-5-6-7-8-9-10-11-15-20-18-17-19-14-12-13-16-21(19)22(20)23/h12-14,16-18,23H,2-11,15H2,1H3

InChIKey

URVHSUKDZZAPTI-UHFFFAOYSA-N

Compound name

2-dodecylnaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 312.24533 Da
Monoisotopic Mass: 9.0
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]+	313.25261	181.4
[M+Na]+	335.23455	185.9
[M-H]-	311.23805	182.9
[M+NH4]+	330.27915	196.7
[M+K]+	351.20849	179.6
[M+H-H2O]+	295.24259	173.6
[M+HCOO]-	357.24353	200.0
[M+CH3COO]-	371.25918	209.5
[M+Na-2H]-	333.22000	183.7
[M]+	312.24478	184.8
[M]-	312.24588	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe