CID 638011

Citral

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=CCC/C(=C/C=O)/C)C

InChI

InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+

InChIKey

WTEVQBCEXWBHNA-JXMROGBWSA-N

Compound name

(2E)-3,7-dimethylocta-2,6-dienal

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1029
References: 72703
Patents: 152.12012 Da
Monoisotopic Mass: 3.0
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	137.6
[M+Na]+	175.10934	147.4
[M+NH4]+	170.15394	144.8
[M+K]+	191.08328	141.4
[M-H]-	151.11284	136.5
[M+Na-2H]-	173.09479	140.2
[M]+	152.11957	138.4
[M]-	152.12067	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe