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]+ 185.128466 144.1
[M+Na]+ 207.110408 150.1
[M-H]- 183.113914 143.9
[M+NH4]+ 202.155013 165.0
[M+K]+ 223.084348 148.6
[M+H-H2O]+ 167.118450 137.6
[M+HCOO]- 229.119391 161.1
[M+CH3COO]- 243.135041 176.9
[M+Na-2H]- 205.095856 144.7
[M]+ 184.12064142 140.8
[M]- 184.12173858 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.