CID 596440

108790-76-7

Structural Information

Molecular Formula
C12H20N2O
SMILES
CC1(N2CC3(CN1CC(C2)(C3=O)C)C)C
InChI
InChI=1S/C12H20N2O/c1-10(2)13-5-11(3)6-14(10)8-12(4,7-13)9(11)15/h5-8H2,1-4H3
InChIKey
ZSYSVGAURGYYKV-UHFFFAOYSA-N
Compound name
2,2,5,7-tetramethyl-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

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 151.9
[M+Na]+ 231.14678 158.6
[M-H]- 207.15028 145.7
[M+NH4]+ 226.19138 179.3
[M+K]+ 247.12072 155.4
[M+H-H2O]+ 191.15482 143.8
[M+HCOO]- 253.15576 156.9
[M+CH3COO]- 267.17141 161.2
[M+Na-2H]- 229.13223 163.4
[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

literature stripe

Patent stripe

No patent data available for this compound.