CID 263056

16294-60-3

Structural Information

Molecular Formula
C16H14O3
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)C(=O)CCC(=O)O
InChI
InChI=1S/C16H14O3/c17-14(8-9-15(18)19)12-7-6-11-5-4-10-2-1-3-13(12)16(10)11/h1-3,6-7H,4-5,8-9H2,(H,18,19)
InChIKey
RCYQMZNDPNZBNL-UHFFFAOYSA-N
Compound name
4-(1,2-dihydroacenaphthylen-5-yl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

254.0943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 156.0
[M+Na]+ 277.08352 167.7
[M+NH4]+ 272.12812 164.5
[M+K]+ 293.05746 163.1
[M-H]- 253.08702 157.1
[M+Na-2H]- 275.06897 159.3
[M]+ 254.09375 157.8
[M]- 254.09485 157.8
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