CID 124706199

Methyl 5-aminobicyclo[3.1.1]heptane-1-carboxylate

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C12CCCC(C1)(C2)N
InChI
InChI=1S/C9H15NO2/c1-12-7(11)8-3-2-4-9(10,5-8)6-8/h2-6,10H2,1H3
InChIKey
OBGWIWOYWWGXAT-UHFFFAOYSA-N
Compound name
methyl 5-aminobicyclo[3.1.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 150.4
[M+Na]+ 192.09950 154.9
[M-H]- 168.10300 149.1
[M+NH4]+ 187.14410 171.4
[M+K]+ 208.07344 156.5
[M+H-H2O]+ 152.10754 142.3
[M+HCOO]- 214.10848 163.6
[M+CH3COO]- 228.12413 186.8
[M+Na-2H]- 190.08495 160.3
[M]+ 169.10973 160.1
[M]- 169.11083 160.1
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.