CID 1738129

108790-71-2

Structural Information

Molecular Formula
C12H20N2O
SMILES
CCC1N2CC3(CN1CC(C2)(C3=O)C)C
InChI
InChI=1S/C12H20N2O/c1-4-9-13-5-11(2)6-14(9)8-12(3,7-13)10(11)15/h9H,4-8H2,1-3H3
InChIKey
AOPSNAPMPFYZHX-UHFFFAOYSA-N
Compound name
2-ethyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.15756 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 152.2
[M+Na]+ 231.14678 157.8
[M-H]- 207.15028 145.7
[M+NH4]+ 226.19138 177.8
[M+K]+ 247.12072 154.6
[M+H-H2O]+ 191.15482 144.4
[M+HCOO]- 253.15576 157.3
[M+CH3COO]- 267.17141 161.1
[M+Na-2H]- 229.13223 162.9
[M]+ 208.15701 154.4
[M]- 208.15811 154.4
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.