CID 1712058

2-benzylideneheptanal

Structural Information

Molecular Formula
C14H18O
SMILES
CCCCC/C(=C/C1=CC=CC=C1)/C=O
InChI
InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-
InChIKey
HMKKIXGYKWDQSV-KAMYIIQDSA-N
Compound name
(2Z)-2-benzylideneheptanal
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

23
References

18986
Patents

202.13577 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 148.9
[M+Na]+ 225.12499 161.3
[M+NH4]+ 220.16959 157.2
[M+K]+ 241.09893 153.1
[M-H]- 201.12849 151.1
[M+Na-2H]- 223.11044 155.4
[M]+ 202.13522 151.2
[M]- 202.13632 151.2
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