CID 121604664

Methyl 2-azabicyclo[2.2.1]heptane-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)C12CCC(C1)NC2
InChI
InChI=1S/C8H13NO2/c1-11-7(10)8-3-2-6(4-8)9-5-8/h6,9H,2-5H2,1H3
InChIKey
YLQLSJVHTVYXQE-UHFFFAOYSA-N
Compound name
methyl 2-azabicyclo[2.2.1]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 135.1
[M+Na]+ 178.08386 142.3
[M+NH4]+ 173.12846 144.7
[M+K]+ 194.05780 139.5
[M-H]- 154.08736 133.4
[M+Na-2H]- 176.06931 137.0
[M]+ 155.09409 135.3
[M]- 155.09519 135.3
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.