CID 16275

Cyclohexanecarboxaldehyde

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CCC(CC1)C=O

InChI

InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2

InChIKey

KVFDZFBHBWTVID-UHFFFAOYSA-N

Compound name

cyclohexanecarbaldehyde

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 33
References: 38229
Patents: 112.08881 Da
Monoisotopic Mass: 1.8
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]+	113.096086	122.3
[M+Na]+	135.078028	127.7
[M-H]-	111.081534	125.2
[M+NH4]+	130.122633	144.7
[M+K]+	151.051968	127.0
[M+H-H2O]+	95.086070	117.2
[M+HCOO]-	157.087011	143.6
[M+CH3COO]-	171.102661	167.6
[M+Na-2H]-	133.063476	128.7
[M]+	112.08826142	117.9
[M]-	112.08935858	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe