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 138.6
[M+Na]+ 192.09950 142.2
[M+NH4]+ 187.14410 147.0
[M+K]+ 208.07344 135.2
[M-H]- 168.10300 134.2
[M+Na-2H]- 190.08495 137.3
[M]+ 169.10973 136.7
[M]- 169.11083 136.7
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.