CID 5281534

Alpha-sinensal

Structural Information

Molecular Formula
C15H22O
SMILES
C/C(=C\C/C=C(\C)/C=C)/CC/C=C(\C)/C=O
InChI
InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+
InChIKey
PFSTYGCNVAVZBK-JQGMZEBDSA-N
Compound name
(2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

674
Patents

218.16707 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 155.8
[M+Na]+ 241.156288 160.5
[M-H]- 217.159794 155.1
[M+NH4]+ 236.200893 174.4
[M+K]+ 257.130228 156.7
[M+H-H2O]+ 201.164330 150.6
[M+HCOO]- 263.165271 175.0
[M+CH3COO]- 277.180921 192.3
[M+Na-2H]- 239.141736 154.7
[M]+ 218.16652142 156.3
[M]- 218.16761858 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe