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]+ 231.137956 155.7
[M+Na]+ 253.119898 162.4
[M-H]- 229.123404 161.7
[M+NH4]+ 248.164503 180.6
[M+K]+ 269.093838 159.2
[M+H-H2O]+ 213.127940 150.5
[M+HCOO]- 275.128881 176.2
[M+CH3COO]- 289.144531 189.0
[M+Na-2H]- 251.105346 158.0
[M]+ 230.13013142 155.3
[M]- 230.13122858 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.