CID 656886

Naphthyl-2-methyl-succinate

Structural Information

Molecular Formula
C15H14O4
SMILES
C1=CC=C2C=C(C=CC2=C1)CC(CC(=O)O)C(=O)O
InChI
InChI=1S/C15H14O4/c16-14(17)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9H2,(H,16,17)(H,18,19)
InChIKey
PYGFLAQSMTXFMU-UHFFFAOYSA-N
Compound name
2-(naphthalen-2-ylmethyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

258.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.8
[M+Na]+ 281.07842 162.5
[M-H]- 257.08192 158.2
[M+NH4]+ 276.12302 172.7
[M+K]+ 297.05236 159.3
[M+H-H2O]+ 241.08646 150.5
[M+HCOO]- 303.08740 174.4
[M+CH3COO]- 317.10305 192.2
[M+Na-2H]- 279.06387 159.9
[M]+ 258.08865 156.7
[M]- 258.08975 156.7
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