CID 59837830

3-benzyl-3-azabicyclo[3.2.1]octan-6-one

Structural Information

Molecular Formula
C14H17NO
SMILES
C1C2CC(=O)C1CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H17NO/c16-14-7-12-6-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey
YMWCPRJSIYTHOZ-UHFFFAOYSA-N
Compound name
3-benzyl-3-azabicyclo[3.2.1]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 148.9
[M+Na]+ 238.12023 155.2
[M-H]- 214.12373 152.9
[M+NH4]+ 233.16483 169.4
[M+K]+ 254.09417 151.2
[M+H-H2O]+ 198.12827 141.7
[M+HCOO]- 260.12921 167.0
[M+CH3COO]- 274.14486 160.7
[M+Na-2H]- 236.10568 152.7
[M]+ 215.13046 145.7
[M]- 215.13156 145.7
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

patents stripe