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]+ 209.164836 152.2
[M+Na]+ 231.146778 157.8
[M-H]- 207.150284 145.7
[M+NH4]+ 226.191383 177.8
[M+K]+ 247.120718 154.6
[M+H-H2O]+ 191.154820 144.4
[M+HCOO]- 253.155761 157.3
[M+CH3COO]- 267.171411 161.1
[M+Na-2H]- 229.132226 162.9
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.