CID 94143

Alpha-cyclocitral

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1=CCCC(C1C=O)(C)C

InChI

InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3

InChIKey

ZVZRJSHOOULAGB-UHFFFAOYSA-N

Compound name

2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 192
Patents: 152.12012 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]+	153.12740	131.0
[M+Na]+	175.10934	139.1
[M-H]-	151.11284	135.0
[M+NH4]+	170.15394	154.8
[M+K]+	191.08328	137.7
[M+H-H2O]+	135.11738	126.8
[M+HCOO]-	197.11832	152.9
[M+CH3COO]-	211.13397	178.1
[M+Na-2H]-	173.09479	136.7
[M]+	152.11957	130.3
[M]-	152.12067	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe