CID 51416810

8-isopropyl-3-nortropanone

Structural Information

Molecular Formula
C10H17NO
SMILES
CC(C)N1[C@@H]2CC[C@H]1CC(=O)C2
InChI
InChI=1S/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3/t8-,9+
InChIKey
AKETXTOLBLTPTP-DTORHVGOSA-N
Compound name
(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 138.1
[M+Na]+ 190.12023 147.8
[M+NH4]+ 185.16483 147.3
[M+K]+ 206.09417 143.7
[M-H]- 166.12373 138.4
[M+Na-2H]- 188.10568 139.6
[M]+ 167.13046 139.3
[M]- 167.13156 139.3
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.