CID 471360

Tert-butyl 3-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C1
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3
InChIKey
JSOMVCDXPUXKIC-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4088
Patents

185.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.0
[M+Na]+ 208.094418 148.1
[M-H]- 184.097924 143.2
[M+NH4]+ 203.139023 161.6
[M+K]+ 224.068358 148.1
[M+H-H2O]+ 168.102460 135.8
[M+HCOO]- 230.103401 160.7
[M+CH3COO]- 244.119051 179.3
[M+Na-2H]- 206.079866 144.0
[M]+ 185.10465142 141.3
[M]- 185.10574858 141.3
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