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

5
Patents

141.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 129.6
[M+Na]+ 164.104588 135.0
[M-H]- 140.108094 127.0
[M+NH4]+ 159.149193 157.6
[M+K]+ 180.078528 134.3
[M+H-H2O]+ 124.112630 125.2
[M+HCOO]- 186.113571 141.7
[M+CH3COO]- 200.129221 141.3
[M+Na-2H]- 162.090036 144.0
[M]+ 141.11482142 129.2
[M]- 141.11591858 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