CID 56842492

38849-09-1

Structural Information

Molecular Formula
C19H16O
SMILES
C1CC2(C3=CC=CC=C3C1C4=CC=CC=C42)/C=C/C=O
InChI
InChI=1S/C19H16O/c20-13-5-11-19-12-10-14(15-6-1-3-8-17(15)19)16-7-2-4-9-18(16)19/h1-9,11,13-14H,10,12H2/b11-5+
InChIKey
SEKAHXWZBXZWDA-VZUCSPMQSA-N
Compound name
(E)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12740 158.0
[M+Na]+ 283.10934 164.0
[M-H]- 259.11284 160.2
[M+NH4]+ 278.15394 181.0
[M+K]+ 299.08328 157.6
[M+H-H2O]+ 243.11738 149.1
[M+HCOO]- 305.11832 171.5
[M+CH3COO]- 319.13397 168.4
[M+Na-2H]- 281.09479 169.0
[M]+ 260.11957 159.4
[M]- 260.12067 159.4
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

patents stripe