CID 55290566

1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine

Structural Information

Molecular Formula
C6H11NO3
SMILES
CC12OCC(CO1)(CO2)N
InChI
InChI=1S/C6H11NO3/c1-5-8-2-6(7,3-9-5)4-10-5/h2-4,7H2,1H3
InChIKey
RWYSGSZSILQOIT-UHFFFAOYSA-N
Compound name
1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

145.0739 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 128.6
[M+Na]+ 168.06312 138.1
[M+NH4]+ 163.10772 141.6
[M+K]+ 184.03706 130.1
[M-H]- 144.06662 130.7
[M+Na-2H]- 166.04857 128.4
[M]+ 145.07335 130.8
[M]- 145.07445 130.8
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

patents stripe