CID 169665

7-methyloctanal

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC(C)CCCCCC=O

InChI

InChI=1S/C9H18O/c1-9(2)7-5-3-4-6-8-10/h8-9H,3-7H2,1-2H3

InChIKey

JRPPVSMCCSLJPL-UHFFFAOYSA-N

Compound name

7-methyloctanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1186
Patents: 142.13577 Da
Monoisotopic Mass: 3.0
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]+	143.14305	133.9
[M+Na]+	165.12499	144.2
[M+NH4]+	160.16959	141.9
[M+K]+	181.09893	137.8
[M-H]-	141.12849	133.6
[M+Na-2H]-	163.11044	137.5
[M]+	142.13522	135.1
[M]-	142.13632	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe