CID 380173

Nsc665619

Structural Information

Molecular Formula
C17H20N2O4
SMILES
CC1(C(=O)OC(=N1)C2CCCN2C(=O)OCC3=CC=CC=C3)C
InChI
InChI=1S/C17H20N2O4/c1-17(2)15(20)23-14(18-17)13-9-6-10-19(13)16(21)22-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKey
POPXRNKLFMNRPF-UHFFFAOYSA-N
Compound name
benzyl 2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14958 171.8
[M+Na]+ 339.13152 178.9
[M-H]- 315.13502 180.0
[M+NH4]+ 334.17612 187.5
[M+K]+ 355.10546 177.5
[M+H-H2O]+ 299.13956 164.1
[M+HCOO]- 361.14050 190.6
[M+CH3COO]- 375.15615 202.6
[M+Na-2H]- 337.11697 171.1
[M]+ 316.14175 173.4
[M]- 316.14285 173.4
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.