CID 45835

63978-07-4

Structural Information

Molecular Formula
C9H16N2O
SMILES
CC(=O)N1C2CCC1CN(C2)C
InChI
InChI=1S/C9H16N2O/c1-7(12)11-8-3-4-9(11)6-10(2)5-8/h8-9H,3-6H2,1-2H3
InChIKey
SWUJAINMZHBCAY-UHFFFAOYSA-N
Compound name
1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

168.12627 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 139.1
[M+Na]+ 191.115488 146.1
[M-H]- 167.118994 138.9
[M+NH4]+ 186.160093 160.6
[M+K]+ 207.089428 144.5
[M+H-H2O]+ 151.123530 132.8
[M+HCOO]- 213.124471 155.0
[M+CH3COO]- 227.140121 180.4
[M+Na-2H]- 189.100936 142.0
[M]+ 168.12572142 136.5
[M]- 168.12681858 136.5
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