CID 10910912

2,5-pyrrolidinedicarboxylic acid, diethyl ester, hydrochloride, trans-

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

61
Patents

215.11575 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 149.5
[M+Na]+ 238.10497 154.8
[M-H]- 214.10847 149.7
[M+NH4]+ 233.14957 167.7
[M+K]+ 254.07891 154.1
[M+H-H2O]+ 198.11301 143.3
[M+HCOO]- 260.11395 168.0
[M+CH3COO]- 274.12960 183.1
[M+Na-2H]- 236.09042 149.4
[M]+ 215.11520 149.5
[M]- 215.11630 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