CID 297178

Nsc670145

Structural Information

Molecular Formula
C15H16O4
SMILES
C1CC2CC1CC2OC(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C15H16O4/c16-14(17)11-3-1-2-4-12(11)15(18)19-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H,16,17)
InChIKey
XRSXEGGBKPSOIZ-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanyloxycarbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

260.10486 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 159.9
[M+Na]+ 283.09408 165.5
[M-H]- 259.09758 164.6
[M+NH4]+ 278.13868 180.7
[M+K]+ 299.06802 162.8
[M+H-H2O]+ 243.10212 154.9
[M+HCOO]- 305.10306 178.3
[M+CH3COO]- 319.11871 192.4
[M+Na-2H]- 281.07953 159.4
[M]+ 260.10431 159.3
[M]- 260.10541 159.3
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

No patent data available for this compound.