CID 144470

1-phenyl-2-norbornyl acetate

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 155.7
[M+Na]+ 253.11990 162.4
[M-H]- 229.12340 161.7
[M+NH4]+ 248.16450 180.6
[M+K]+ 269.09384 159.2
[M+H-H2O]+ 213.12794 150.5
[M+HCOO]- 275.12888 176.2
[M+CH3COO]- 289.14453 189.0
[M+Na-2H]- 251.10535 158.0
[M]+ 230.13013 155.3
[M]- 230.13123 155.3
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.