CID 440905

Lmpr0102070004

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC1CCC(C1C=O)C(C=O)C=O

InChI

InChI=1S/C10H14O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h4-10H,2-3H2,1H3

InChIKey

JHNAOPCUAVPDKQ-UHFFFAOYSA-N

Compound name

2-(2-formyl-3-methylcyclopentyl)propanedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 0.8
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]+	183.10158	138.9
[M+Na]+	205.08352	146.2
[M-H]-	181.08702	142.4
[M+NH4]+	200.12812	160.8
[M+K]+	221.05746	144.8
[M+H-H2O]+	165.09156	134.1
[M+HCOO]-	227.09250	161.2
[M+CH3COO]-	241.10815	181.7
[M+Na-2H]-	203.06897	140.0
[M]+	182.09375	139.4
[M]-	182.09485	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.