CID 69716160

Dtxsid60872407

Structural Information

Molecular Formula

C₁₈H₃₀O

SMILES

CC(C)CC(C)CC(C)CC(C)C1=CC=C(C=C1)O

InChI

InChI=1S/C18H30O/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(19)9-7-17/h6-9,13-16,19H,10-12H2,1-5H3

InChIKey

KQXPSMKJRRCWGA-UHFFFAOYSA-N

Compound name

4-(4,6,8-trimethylnonan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 262.22968 Da
Monoisotopic Mass: 6.7
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]+	263.23696	169.2
[M+Na]+	285.21890	172.3
[M-H]-	261.22240	170.4
[M+NH4]+	280.26350	185.3
[M+K]+	301.19284	169.8
[M+H-H2O]+	245.22694	162.8
[M+HCOO]-	307.22788	185.5
[M+CH3COO]-	321.24353	202.5
[M+Na-2H]-	283.20435	166.4
[M]+	262.22913	169.8
[M]-	262.23023	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe