CID 77014440

20231-45-2

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C[C@@]12CC[C@@H](C1(C)C=O)CC2=O

InChI

InChI=1S/C10H14O2/c1-9-4-3-7(5-8(9)12)10(9,2)6-11/h6-7H,3-5H2,1-2H3/t7-,9+,10?/m1/s1

InChIKey

BZFVGPPELIFTQP-IKZKJGMZSA-N

Compound name

(1R,4R)-1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 166.09938 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]+	167.10666	136.9
[M+Na]+	189.08860	145.8
[M+NH4]+	184.13320	148.7
[M+K]+	205.06254	139.9
[M-H]-	165.09210	136.7
[M+Na-2H]-	187.07405	140.8
[M]+	166.09883	138.2
[M]-	166.09993	138.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.