CID 20825300

Methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)C12CCC(N1)CC2
InChI
InChI=1S/C8H13NO2/c1-11-7(10)8-4-2-6(9-8)3-5-8/h6,9H,2-5H2,1H3
InChIKey
XMQNWZZEZQESSY-UHFFFAOYSA-N
Compound name
methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

155.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 135.8
[M+Na]+ 178.08386 142.7
[M-H]- 154.08736 135.8
[M+NH4]+ 173.12846 161.6
[M+K]+ 194.05780 141.2
[M+H-H2O]+ 138.09190 131.4
[M+HCOO]- 200.09284 154.2
[M+CH3COO]- 214.10849 171.5
[M+Na-2H]- 176.06931 139.9
[M]+ 155.09409 133.6
[M]- 155.09519 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