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

29
Patents

243.11067 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.117946 152.6
[M+Na]+ 266.099888 159.6
[M-H]- 242.103394 155.0
[M+NH4]+ 261.144493 170.8
[M+K]+ 282.073828 160.1
[M+H-H2O]+ 226.107930 147.4
[M+HCOO]- 288.108871 171.2
[M+CH3COO]- 302.124521 190.1
[M+Na-2H]- 264.085336 153.3
[M]+ 243.11012142 155.5
[M]- 243.11121858 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