CID 220399

1,2-dihydroacenaphthylene-5-carbaldehyde

Structural Information

Molecular Formula
C13H10O
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)C=O
InChI
InChI=1S/C13H10O/c14-8-11-7-6-10-5-4-9-2-1-3-12(11)13(9)10/h1-3,6-8H,4-5H2
InChIKey
VNEOTRCBGZQYJT-UHFFFAOYSA-N
Compound name
1,2-dihydroacenaphthylene-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

182.07317 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08045 136.3
[M+Na]+ 205.06239 150.9
[M+NH4]+ 200.10699 147.4
[M+K]+ 221.03633 144.1
[M-H]- 181.06589 139.8
[M+Na-2H]- 203.04784 142.8
[M]+ 182.07262 139.5
[M]- 182.07372 139.5
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