CID 10910912

2,5-diethyl (2r,5r)-pyrrolidine-2,5-dicarboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO4
SMILES
CCOC(=O)[C@H]1CC[C@@H](N1)C(=O)OCC
InChI
InChI=1S/C10H17NO4/c1-3-14-9(12)7-5-6-8(11-7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey
XDYNGPAGOCWBMK-HTQZYQBOSA-N
Compound name
diethyl (2R,5R)-pyrrolidine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

215.11575 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 149.5
[M+Na]+ 238.104968 154.8
[M-H]- 214.108474 149.7
[M+NH4]+ 233.149573 167.7
[M+K]+ 254.078908 154.1
[M+H-H2O]+ 198.113010 143.3
[M+HCOO]- 260.113951 168.0
[M+CH3COO]- 274.129601 183.1
[M+Na-2H]- 236.090416 149.4
[M]+ 215.11520142 149.5
[M]- 215.11629858 149.5
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

patents stripe