CID 394149

Methyl hexahydro-1h-pyrrolizine-7a-carboxylate

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C12CCCN1CCC2
InChI
InChI=1S/C9H15NO2/c1-12-8(11)9-4-2-6-10(9)7-3-5-9/h2-7H2,1H3
InChIKey
HBZKVVLPFLBBNV-UHFFFAOYSA-N
Compound name
methyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

169.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 139.5
[M+Na]+ 192.09950 146.0
[M-H]- 168.10300 142.1
[M+NH4]+ 187.14410 164.7
[M+K]+ 208.07344 145.3
[M+H-H2O]+ 152.10754 134.2
[M+HCOO]- 214.10848 159.4
[M+CH3COO]- 228.12413 175.9
[M+Na-2H]- 190.08495 142.6
[M]+ 169.10973 137.5
[M]- 169.11083 137.5
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.