CID 154856940

2490432-61-4

Structural Information

Molecular Formula
C9H17NO2
SMILES
COCC12CCC(CC1)(CO2)N
InChI
InChI=1S/C9H17NO2/c1-11-7-9-4-2-8(10,3-5-9)6-12-9/h2-7,10H2,1H3
InChIKey
TUJFHUPSXMBQAH-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 136.9
[M+Na]+ 194.11515 141.7
[M-H]- 170.11865 133.9
[M+NH4]+ 189.15975 163.6
[M+K]+ 210.08909 141.3
[M+H-H2O]+ 154.12319 132.2
[M+HCOO]- 216.12413 148.7
[M+CH3COO]- 230.13978 148.0
[M+Na-2H]- 192.10060 150.9
[M]+ 171.12538 138.3
[M]- 171.12648 138.3
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.