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: 3192
References: 639
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	140.8
[M-H]-	141.12849	134.1
[M+NH4]+	160.16959	156.0
[M+K]+	181.09893	140.2
[M+H-H2O]+	125.13303	129.9
[M+HCOO]-	187.13397	155.7
[M+CH3COO]-	201.14962	177.1
[M+Na-2H]-	163.11044	140.2
[M]+	142.13522	136.6
[M]-	142.13632	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe