CID 13276733

8-benzyl-8-azabicyclo[3.2.1]octan-3-one oxime

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CC2CC(=NO)CC1N2CC3=CC=CC=C3
InChI
InChI=1S/C14H18N2O/c17-15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,13-14,17H,6-10H2
InChIKey
KFSOYEAOVNOZNU-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

230.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 151.6
[M+Na]+ 253.131118 157.1
[M-H]- 229.134624 155.6
[M+NH4]+ 248.175723 171.2
[M+K]+ 269.105058 153.1
[M+H-H2O]+ 213.139160 144.1
[M+HCOO]- 275.140101 170.8
[M+CH3COO]- 289.155751 163.0
[M+Na-2H]- 251.116566 156.2
[M]+ 230.14135142 147.7
[M]- 230.14244858 147.7
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