CID 165593607

Methyl 3-(2-aminoethyl)bicyclo[1.1.1]pentane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C12CC(C1)(C2)CCN
InChI
InChI=1S/C9H15NO2/c1-12-7(11)9-4-8(5-9,6-9)2-3-10/h2-6,10H2,1H3
InChIKey
CENYGNXHJFFBHG-UHFFFAOYSA-N
Compound name
methyl 3-(2-aminoethyl)bicyclo[1.1.1]pentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 160.4
[M+Na]+ 192.09950 163.0
[M-H]- 168.10300 163.0
[M+NH4]+ 187.14410 166.1
[M+K]+ 208.07344 169.1
[M+H-H2O]+ 152.10754 146.8
[M+HCOO]- 214.10848 172.9
[M+CH3COO]- 228.12413 209.4
[M+Na-2H]- 190.08495 165.1
[M]+ 169.10973 184.8
[M]- 169.11083 184.8
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.