CID 15815995

Methyl 1-tert-butyloxycarbonyl-4-oxopyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C11H17NO5
SMILES
CC(C)(C)OC(=O)N1CC(C(=O)C1)C(=O)OC
InChI
InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-5-7(8(13)6-12)9(14)16-4/h7H,5-6H2,1-4H3
InChIKey
LFGDBJLQEQWSDA-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 4-oxopyrrolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

243.11067 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11795 152.6
[M+Na]+ 266.09989 159.6
[M-H]- 242.10339 155.0
[M+NH4]+ 261.14449 170.8
[M+K]+ 282.07383 160.1
[M+H-H2O]+ 226.10793 147.4
[M+HCOO]- 288.10887 171.2
[M+CH3COO]- 302.12452 190.1
[M+Na-2H]- 264.08534 153.3
[M]+ 243.11012 155.5
[M]- 243.11122 155.5
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