CID 103734

53075-50-6

Structural Information

Molecular Formula
C15H18O2
SMILES
C1CC2CC1CC2COC(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H18O2/c16-15(12-4-2-1-3-5-12)17-10-14-9-11-6-7-13(14)8-11/h1-5,11,13-14H,6-10H2
InChIKey
UGGMYHIVEOWQOR-UHFFFAOYSA-N
Compound name
2-bicyclo[2.2.1]heptanylmethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.13068 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.137956 155.2
[M+Na]+ 253.119898 160.8
[M-H]- 229.123404 160.9
[M+NH4]+ 248.164503 178.0
[M+K]+ 269.093838 157.8
[M+H-H2O]+ 213.127940 149.6
[M+HCOO]- 275.128881 175.7
[M+CH3COO]- 289.144531 189.5
[M+Na-2H]- 251.105346 156.5
[M]+ 230.13013142 154.5
[M]- 230.13122858 154.5
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.