CID 66212776

Ethyl octahydropyrrolo[3,4-c]pyrrole-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CCOC(=O)N1CC2CNCC2C1
InChI
InChI=1S/C9H16N2O2/c1-2-13-9(12)11-5-7-3-10-4-8(7)6-11/h7-8,10H,2-6H2,1H3
InChIKey
KTBMEKRSICOQBG-UHFFFAOYSA-N
Compound name
ethyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 144.1
[M+Na]+ 207.11041 150.1
[M-H]- 183.11391 143.9
[M+NH4]+ 202.15501 165.0
[M+K]+ 223.08435 148.6
[M+H-H2O]+ 167.11845 137.6
[M+HCOO]- 229.11939 161.1
[M+CH3COO]- 243.13504 176.9
[M+Na-2H]- 205.09586 144.7
[M]+ 184.12064 140.8
[M]- 184.12174 140.8
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.