CID 167727838

3,5,7-trimethylnonan-1-ol

Structural Information

Molecular Formula

C₁₂H₂₆O

SMILES

CCC(C)CC(C)CC(C)CCO

InChI

InChI=1S/C12H26O/c1-5-10(2)8-12(4)9-11(3)6-7-13/h10-13H,5-9H2,1-4H3

InChIKey

DEQQKKSENJFMTH-UHFFFAOYSA-N

Compound name

3,5,7-trimethylnonan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.19836 Da
Monoisotopic Mass: 4.4
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]+	187.20564	149.1
[M+Na]+	209.18758	157.5
[M+NH4]+	204.23218	156.3
[M+K]+	225.16152	152.3
[M-H]-	185.19108	147.9
[M+Na-2H]-	207.17303	150.5
[M]+	186.19781	149.7
[M]-	186.19891	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe