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

11
Patents

215.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.138286 148.9
[M+Na]+ 238.120228 155.2
[M-H]- 214.123734 152.9
[M+NH4]+ 233.164833 169.4
[M+K]+ 254.094168 151.2
[M+H-H2O]+ 198.128270 141.7
[M+HCOO]- 260.129211 167.0
[M+CH3COO]- 274.144861 160.7
[M+Na-2H]- 236.105676 152.7
[M]+ 215.13046142 145.7
[M]- 215.13155858 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