CID 132343892

2137916-60-8

Structural Information

Molecular Formula
C9H17NO
SMILES
CC12CCC(CC1)(CO2)CN
InChI
InChI=1S/C9H17NO/c1-8-2-4-9(6-10,5-3-8)7-11-8/h2-7,10H2,1H3
InChIKey
SHIDZDHFGQQYLA-UHFFFAOYSA-N
Compound name
(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 134.4
[M+Na]+ 178.12023 143.6
[M+NH4]+ 173.16483 148.4
[M+K]+ 194.09417 133.3
[M-H]- 154.12373 134.8
[M+Na-2H]- 176.10568 135.3
[M]+ 155.13046 136.1
[M]- 155.13156 136.1
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.