CID 216082

37092-92-5

Structural Information

Molecular Formula
C18H25NO2
SMILES
CC(=O)OC1(C2CCC(C2)C1CN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C18H25NO2/c1-13(20)21-18(15-7-5-4-6-8-15)16-10-9-14(11-16)17(18)12-19(2)3/h4-8,14,16-17H,9-12H2,1-3H3
InChIKey
LLGRLQWVNRISAK-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]-2-phenyl-2-bicyclo[2.2.1]heptanyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 169.9
[M+Na]+ 310.17776 178.5
[M+NH4]+ 305.22236 180.1
[M+K]+ 326.15170 173.8
[M-H]- 286.18126 172.8
[M+Na-2H]- 308.16321 174.1
[M]+ 287.18799 171.8
[M]- 287.18909 171.8
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.