CID 6365928

84041-79-2

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]+ 243.174346 160.9
[M+Na]+ 265.156288 165.2
[M-H]- 241.159794 163.4
[M+NH4]+ 260.200893 178.2
[M+K]+ 281.130228 161.5
[M+H-H2O]+ 225.164330 154.4
[M+HCOO]- 287.165271 180.7
[M+CH3COO]- 301.180921 196.1
[M+Na-2H]- 263.141736 161.2
[M]+ 242.16652142 161.1
[M]- 242.16761858 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.