CID 15450

6-methyl-1-heptanol

Structural Information

Molecular Formula

C₈H₁₈O

SMILES

CC(C)CCCCCO

InChI

InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey

BWDBEAQIHAEVLV-UHFFFAOYSA-N

Compound name

6-methylheptan-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 26782
Patents: 130.13577 Da
Monoisotopic Mass: 2.8
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]+	131.14305	130.7
[M+Na]+	153.12499	140.5
[M+NH4]+	148.16959	138.7
[M+K]+	169.09893	134.7
[M-H]-	129.12849	130.1
[M+Na-2H]-	151.11044	133.9
[M]+	130.13522	131.7
[M]-	130.13632	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe