CID 137935662

2253629-50-2

Structural Information

Molecular Formula
C8H15NO
SMILES
CC12CCC(CC1)(CO2)N
InChI
InChI=1S/C8H15NO/c1-7-2-4-8(9,5-3-7)6-10-7/h2-6,9H2,1H3
InChIKey
JLVUAMOZHBDOTJ-UHFFFAOYSA-N
Compound name
1-methyl-2-oxabicyclo[2.2.2]octan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 129.6
[M+Na]+ 164.10459 135.0
[M-H]- 140.10809 127.0
[M+NH4]+ 159.14919 157.6
[M+K]+ 180.07853 134.3
[M+H-H2O]+ 124.11263 125.2
[M+HCOO]- 186.11357 141.7
[M+CH3COO]- 200.12922 141.3
[M+Na-2H]- 162.09004 144.0
[M]+ 141.11482 129.2
[M]- 141.11592 129.2
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

patents stripe