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
2
Annotation Hits

0
References

18
Patents

260.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.127396 158.0
[M+Na]+ 283.109338 164.0
[M-H]- 259.112844 160.2
[M+NH4]+ 278.153943 181.0
[M+K]+ 299.083278 157.6
[M+H-H2O]+ 243.117380 149.1
[M+HCOO]- 305.118321 171.5
[M+CH3COO]- 319.133971 168.4
[M+Na-2H]- 281.094786 169.0
[M]+ 260.11957142 159.4
[M]- 260.12066858 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