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
11
Annotation Hits

1033
References

79577
Patents

152.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 136.1
[M+Na]+ 175.10934 142.4
[M-H]- 151.11284 136.1
[M+NH4]+ 170.15394 157.5
[M+K]+ 191.08328 140.7
[M+H-H2O]+ 135.11738 131.6
[M+HCOO]- 197.11832 157.6
[M+CH3COO]- 211.13397 178.9
[M+Na-2H]- 173.09479 138.8
[M]+ 152.11957 136.9
[M]- 152.12067 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.