CID 72207869

Methyl 2-azabicyclo[3.1.1]heptane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)C12CC(C1)CCN2
InChI
InChI=1S/C8H13NO2/c1-11-7(10)8-4-6(5-8)2-3-9-8/h6,9H,2-5H2,1H3
InChIKey
VABRIJQPJBDMNS-UHFFFAOYSA-N
Compound name
methyl 2-azabicyclo[3.1.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 143.1
[M+Na]+ 178.08386 147.5
[M-H]- 154.08736 139.5
[M+NH4]+ 173.12846 161.5
[M+K]+ 194.05780 149.1
[M+H-H2O]+ 138.09190 134.3
[M+HCOO]- 200.09284 153.9
[M+CH3COO]- 214.10849 180.2
[M+Na-2H]- 176.06931 153.2
[M]+ 155.09409 152.6
[M]- 155.09519 152.6
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

No patent data available for this compound.