CID 201448

Oxocamphor

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1(C2CCC1(C(=O)C2)C=O)C

InChI

InChI=1S/C10H14O2/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h6-7H,3-5H2,1-2H3

InChIKey

DLKVHFJZTKTFRS-UHFFFAOYSA-N

Compound name

7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 166.09938 Da
Monoisotopic Mass: 1.4
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]+	167.10666	135.1
[M+Na]+	189.08860	145.0
[M-H]-	165.09210	138.7
[M+NH4]+	184.13320	165.1
[M+K]+	205.06254	142.4
[M+H-H2O]+	149.09664	132.8
[M+HCOO]-	211.09758	156.8
[M+CH3COO]-	225.11323	178.4
[M+Na-2H]-	187.07405	140.4
[M]+	166.09883	136.1
[M]-	166.09993	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe