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 157.6
[M+Na]+ 277.08352 164.6
[M-H]- 253.08702 160.8
[M+NH4]+ 272.12812 177.8
[M+K]+ 293.05746 160.6
[M+H-H2O]+ 237.09156 151.9
[M+HCOO]- 299.09250 176.2
[M+CH3COO]- 313.10815 194.9
[M+Na-2H]- 275.06897 160.9
[M]+ 254.09375 159.2
[M]- 254.09485 159.2
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