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

1
Patents

155.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 135.8
[M+Na]+ 178.083858 142.7
[M-H]- 154.087364 135.8
[M+NH4]+ 173.128463 161.6
[M+K]+ 194.057798 141.2
[M+H-H2O]+ 138.091900 131.4
[M+HCOO]- 200.092841 154.2
[M+CH3COO]- 214.108491 171.5
[M+Na-2H]- 176.069306 139.9
[M]+ 155.09409142 133.6
[M]- 155.09518858 133.6
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