CID 101458332

2-(naphthalen-2-yl)butanedioic acid

Structural Information

Molecular Formula
C14H12O4
SMILES
C1=CC=C2C=C(C=CC2=C1)C(CC(=O)O)C(=O)O
InChI
InChI=1S/C14H12O4/c15-13(16)8-12(14(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H,15,16)(H,17,18)
InChIKey
DWQYQZVWXZNOEU-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 152.1
[M+Na]+ 267.062778 158.2
[M-H]- 243.066284 153.7
[M+NH4]+ 262.107383 168.6
[M+K]+ 283.036718 155.2
[M+H-H2O]+ 227.070820 146.0
[M+HCOO]- 289.071761 170.0
[M+CH3COO]- 303.087411 189.2
[M+Na-2H]- 265.048226 155.7
[M]+ 244.07301142 151.7
[M]- 244.07410858 151.7
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