CID 10631833

1-boc-pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C9H13NO4
SMILES
CC(C)(C)OC(=O)N1CC(=O)CC1=O
InChI
InChI=1S/C9H13NO4/c1-9(2,3)14-8(13)10-5-6(11)4-7(10)12/h4-5H2,1-3H3
InChIKey
JWMCWFLHZICZQD-UHFFFAOYSA-N
Compound name
tert-butyl 2,4-dioxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

199.08446 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09174 141.2
[M+Na]+ 222.07368 149.4
[M-H]- 198.07718 143.8
[M+NH4]+ 217.11828 161.3
[M+K]+ 238.04762 149.2
[M+H-H2O]+ 182.08172 136.3
[M+HCOO]- 244.08266 161.2
[M+CH3COO]- 258.09831 181.7
[M+Na-2H]- 220.05913 143.8
[M]+ 199.08391 142.6
[M]- 199.08501 142.6
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