CID 144470

71173-15-4

Structural Information

Molecular Formula
C15H18O2
SMILES
CC(=O)OC1CC2CCC1(C2)C3=CC=CC=C3
InChI
InChI=1S/C15H18O2/c1-11(16)17-14-9-12-7-8-15(14,10-12)13-5-3-2-4-6-13/h2-6,12,14H,7-10H2,1H3
InChIKey
RSPCTHIVCKFIDB-UHFFFAOYSA-N
Compound name
(1-phenyl-2-bicyclo[2.2.1]heptanyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 154.3
[M+Na]+ 253.11990 164.3
[M+NH4]+ 248.16450 165.4
[M+K]+ 269.09384 159.2
[M-H]- 229.12340 156.8
[M+Na-2H]- 251.10535 159.5
[M]+ 230.13013 156.5
[M]- 230.13123 156.5
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.