CID 57741675

Tert-butyl 3-methyl-4-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC1CN(CC1=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H17NO3/c1-7-5-11(6-8(7)12)9(13)14-10(2,3)4/h7H,5-6H2,1-4H3
InChIKey
JMDHMXMRWKYDGZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-4-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

199.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 144.6
[M+Na]+ 222.11007 152.2
[M-H]- 198.11357 147.0
[M+NH4]+ 217.15467 164.9
[M+K]+ 238.08401 151.9
[M+H-H2O]+ 182.11811 139.6
[M+HCOO]- 244.11905 163.9
[M+CH3COO]- 258.13470 183.6
[M+Na-2H]- 220.09552 146.5
[M]+ 199.12030 145.6
[M]- 199.12140 145.6
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