CID 19906530

666725-93-5

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC1(CCCC1)CC=O

InChI

InChI=1S/C8H14O/c1-8(6-7-9)4-2-3-5-8/h7H,2-6H2,1H3

InChIKey

OHVOYTTXSZBYHG-UHFFFAOYSA-N

Compound name

2-(1-methylcyclopentyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 126.10446 Da
Monoisotopic Mass: 2.3
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]+	127.11174	127.2
[M+Na]+	149.09368	134.1
[M-H]-	125.09718	130.5
[M+NH4]+	144.13828	153.0
[M+K]+	165.06762	133.2
[M+H-H2O]+	109.10172	123.1
[M+HCOO]-	171.10266	150.3
[M+CH3COO]-	185.11831	170.0
[M+Na-2H]-	147.07913	132.9
[M]+	126.10391	125.6
[M]-	126.10501	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe