CID 10866761

84393-05-5

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

COC(=O)C1(CCCCC1)C=O

InChI

InChI=1S/C9H14O3/c1-12-8(11)9(7-10)5-3-2-4-6-9/h7H,2-6H2,1H3

InChIKey

ZKTJOSITANDHAI-UHFFFAOYSA-N

Compound name

methyl 1-formylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 170.0943 Da
Monoisotopic Mass: 1.7
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]+	171.10158	138.2
[M+Na]+	193.08352	147.9
[M+NH4]+	188.12812	147.3
[M+K]+	209.05746	140.9
[M-H]-	169.08702	138.8
[M+Na-2H]-	191.06897	143.8
[M]+	170.09375	139.6
[M]-	170.09485	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe