CID 3057949

3-ethyl-5,7,7-trimethyl-6-oxa-3-azabicyclo(3.2.2)nonane

Structural Information

Molecular Formula
C12H23NO
SMILES
CCN1CC2CCC(C1)(OC2(C)C)C
InChI
InChI=1S/C12H23NO/c1-5-13-8-10-6-7-12(4,9-13)14-11(10,2)3/h10H,5-9H2,1-4H3
InChIKey
WJKZCKQDSZOPSK-UHFFFAOYSA-N
Compound name
3-ethyl-5,7,7-trimethyl-6-oxa-3-azabicyclo[3.2.2]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.17796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.18524 151.7
[M+Na]+ 220.16718 160.8
[M-H]- 196.17068 152.8
[M+NH4]+ 215.21178 173.8
[M+K]+ 236.14112 156.4
[M+H-H2O]+ 180.17522 150.3
[M+HCOO]- 242.17616 160.9
[M+CH3COO]- 256.19181 161.7
[M+Na-2H]- 218.15263 161.7
[M]+ 197.17741 152.1
[M]- 197.17851 152.1
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.