CID 12627132

2-methylcyclohexane-1-carbaldehyde

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC1CCCCC1C=O

InChI

InChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9/h6-8H,2-5H2,1H3

InChIKey

BXRDRWXTTQUDAR-UHFFFAOYSA-N

Compound name

2-methylcyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 126.10446 Da
Monoisotopic Mass: 2.2
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	126.1
[M+Na]+	149.09368	132.1
[M-H]-	125.09718	129.3
[M+NH4]+	144.13828	148.4
[M+K]+	165.06762	131.2
[M+H-H2O]+	109.10172	121.2
[M+HCOO]-	171.10266	147.1
[M+CH3COO]-	185.11831	171.7
[M+Na-2H]-	147.07913	131.3
[M]+	126.10391	122.5
[M]-	126.10501	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe