CID 97619

1,2-dihydroacenaphthylene-5-carboxylic acid

Structural Information

Molecular Formula
C13H10O2
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)C(=O)O
InChI
InChI=1S/C13H10O2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2,(H,14,15)
InChIKey
DXKAWGBIIVQFIE-UHFFFAOYSA-N
Compound name
1,2-dihydroacenaphthylene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

93
Patents

198.06808 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.075356 140.9
[M+Na]+ 221.057298 149.6
[M-H]- 197.060804 144.8
[M+NH4]+ 216.101903 163.8
[M+K]+ 237.031238 145.7
[M+H-H2O]+ 181.065340 135.9
[M+HCOO]- 243.066281 161.4
[M+CH3COO]- 257.081931 154.4
[M+Na-2H]- 219.042746 147.1
[M]+ 198.06753142 141.5
[M]- 198.06862858 141.5
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