CID 121553561

Methyl 6-(aminomethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate

Structural Information

Molecular Formula
C10H18N2O2
SMILES
COC(=O)N1CC2CCC1C(C2)CN
InChI
InChI=1S/C10H18N2O2/c1-14-10(13)12-6-7-2-3-9(12)8(4-7)5-11/h7-9H,2-6,11H2,1H3
InChIKey
SKVZKLAZOURAGG-UHFFFAOYSA-N
Compound name
methyl 6-(aminomethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.13683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 145.0
[M+Na]+ 221.12605 148.8
[M-H]- 197.12955 139.8
[M+NH4]+ 216.17065 167.1
[M+K]+ 237.09999 147.5
[M+H-H2O]+ 181.13409 140.1
[M+HCOO]- 243.13503 155.4
[M+CH3COO]- 257.15068 191.5
[M+Na-2H]- 219.11150 153.6
[M]+ 198.13628 145.2
[M]- 198.13738 145.3
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.