CID 21888462

Human menopausal gonadotrophin

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC(C)(C)CCCCC=O

InChI

InChI=1S/C9H18O/c1-9(2,3)7-5-4-6-8-10/h8H,4-7H2,1-3H3

InChIKey

CBUWTGCATVNMJE-UHFFFAOYSA-N

Compound name

6,6-dimethylheptanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3196
References: 737
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]+	143.143046	133.9
[M+Na]+	165.124988	140.8
[M-H]-	141.128494	134.1
[M+NH4]+	160.169593	156.0
[M+K]+	181.098928	140.2
[M+H-H2O]+	125.133030	129.9
[M+HCOO]-	187.133971	155.7
[M+CH3COO]-	201.149621	177.1
[M+Na-2H]-	163.110436	140.2
[M]+	142.13522142	136.6
[M]-	142.13631858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe