CID 49548

67196-21-8

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CN1CC2CCC(C1)N2C(=O)OC
InChI
InChI=1S/C9H16N2O2/c1-10-5-7-3-4-8(6-10)11(7)9(12)13-2/h7-8H,3-6H2,1-2H3
InChIKey
FEZVKEOPBBKYEP-UHFFFAOYSA-N
Compound name
methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

184.12119 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 142.1
[M+Na]+ 207.11041 149.0
[M-H]- 183.11391 141.9
[M+NH4]+ 202.15501 162.9
[M+K]+ 223.08435 148.0
[M+H-H2O]+ 167.11845 135.7
[M+HCOO]- 229.11939 158.2
[M+CH3COO]- 243.13504 181.8
[M+Na-2H]- 205.09586 145.1
[M]+ 184.12064 140.9
[M]- 184.12174 140.9
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