CID 101695

472-64-0

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC1=CCCC(C1CC=O)(C)C

InChI

InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h5,8,10H,4,6-7H2,1-3H3

InChIKey

YJKGMUJSGUUUJU-UHFFFAOYSA-N

Compound name

2-(2,6,6-trimethylcyclohex-2-en-1-yl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 166.13577 Da
Monoisotopic Mass: 2.3
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]+	167.14305	135.6
[M+Na]+	189.12499	143.2
[M-H]-	165.12849	139.4
[M+NH4]+	184.16959	158.8
[M+K]+	205.09893	141.6
[M+H-H2O]+	149.13303	131.3
[M+HCOO]-	211.13397	157.1
[M+CH3COO]-	225.14962	181.1
[M+Na-2H]-	187.11044	140.8
[M]+	166.13522	135.3
[M]-	166.13632	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe