CID 101458332

2-(2-naphthyl)succinic 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

3
Patents

244.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 152.1
[M+Na]+ 267.06278 158.2
[M-H]- 243.06628 153.7
[M+NH4]+ 262.10738 168.6
[M+K]+ 283.03672 155.2
[M+H-H2O]+ 227.07082 146.0
[M+HCOO]- 289.07176 170.0
[M+CH3COO]- 303.08741 189.2
[M+Na-2H]- 265.04823 155.7
[M]+ 244.07301 151.7
[M]- 244.07411 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