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]+ 169.13355 139.1
[M+Na]+ 191.11549 146.1
[M-H]- 167.11899 138.9
[M+NH4]+ 186.16009 160.6
[M+K]+ 207.08943 144.5
[M+H-H2O]+ 151.12353 132.8
[M+HCOO]- 213.12447 155.0
[M+CH3COO]- 227.14012 180.4
[M+Na-2H]- 189.10094 142.0
[M]+ 168.12572 136.5
[M]- 168.12682 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