CID 6365928

3,7-dimethyl-2-(phenylmethylene)oct-6-enal

Structural Information

Molecular Formula
C17H22O
SMILES
CC(CCC=C(C)C)/C(=C\C1=CC=CC=C1)/C=O
InChI
InChI=1S/C17H22O/c1-14(2)8-7-9-15(3)17(13-18)12-16-10-5-4-6-11-16/h4-6,8,10-13,15H,7,9H2,1-3H3/b17-12-
InChIKey
RPFIDUPEXBETGK-ATVHPVEESA-N
Compound name
(2E)-2-benzylidene-3,7-dimethyloct-6-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17435 160.9
[M+Na]+ 265.15629 165.2
[M-H]- 241.15979 163.4
[M+NH4]+ 260.20089 178.2
[M+K]+ 281.13023 161.5
[M+H-H2O]+ 225.16433 154.4
[M+HCOO]- 287.16527 180.7
[M+CH3COO]- 301.18092 196.1
[M+Na-2H]- 263.14174 161.2
[M]+ 242.16652 161.1
[M]- 242.16762 161.1
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.