CID 12195585

Boc-dl-proline ethyl ester

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCOC(=O)C1CCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-5-16-10(14)9-7-6-8-13(9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
IBCLKOLOJLBQDZ-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-ethyl pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

243.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 157.5
[M+Na]+ 266.13628 163.0
[M-H]- 242.13978 159.2
[M+NH4]+ 261.18088 175.6
[M+K]+ 282.11022 163.2
[M+H-H2O]+ 226.14432 151.7
[M+HCOO]- 288.14526 175.3
[M+CH3COO]- 302.16091 190.7
[M+Na-2H]- 264.12173 157.9
[M]+ 243.14651 159.6
[M]- 243.14761 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe