CID 76190438

1824365-37-8

Structural Information

Molecular Formula
C16H19NO4
SMILES
CC(C)(C)OC(=O)N1C(C(=O)CC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C16H19NO4/c1-16(2,3)21-15(20)17-12(13(18)10-14(17)19)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKey
HSEORCASZVAQNP-UHFFFAOYSA-N
Compound name
tert-butyl 2-benzyl-3,5-dioxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 167.1
[M+Na]+ 312.12062 177.1
[M+NH4]+ 307.16522 172.7
[M+K]+ 328.09456 174.6
[M-H]- 288.12412 167.5
[M+Na-2H]- 310.10607 171.0
[M]+ 289.13085 168.3
[M]- 289.13195 168.3
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

No patent data available for this compound.