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]+ 209.164836 151.9
[M+Na]+ 231.146778 158.6
[M-H]- 207.150284 145.7
[M+NH4]+ 226.191383 179.3
[M+K]+ 247.120718 155.4
[M+H-H2O]+ 191.154820 143.8
[M+HCOO]- 253.155761 156.9
[M+CH3COO]- 267.171411 161.2
[M+Na-2H]- 229.132226 163.4
[M]+ 208.15701142 154.4
[M]- 208.15810858 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.