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

33
Patents

199.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 144.6
[M+Na]+ 222.110068 152.2
[M-H]- 198.113574 147.0
[M+NH4]+ 217.154673 164.9
[M+K]+ 238.084008 151.9
[M+H-H2O]+ 182.118110 139.6
[M+HCOO]- 244.119051 163.9
[M+CH3COO]- 258.134701 183.6
[M+Na-2H]- 220.095516 146.5
[M]+ 199.12030142 145.6
[M]- 199.12139858 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