CID 3042484

N-(p-fluorobenzyl)pyroglutamide [french]

Structural Information

Molecular Formula
C12H13FN2O2
SMILES
C1CC(=O)N(C1C(=O)N)CC2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FN2O2/c13-9-3-1-8(2-4-9)7-15-10(12(14)17)5-6-11(15)16/h1-4,10H,5-7H2,(H2,14,17)
InChIKey
OSZIBIOODYMFNT-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.0961 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10338 150.7
[M+Na]+ 259.08532 158.2
[M-H]- 235.08882 154.5
[M+NH4]+ 254.12992 168.3
[M+K]+ 275.05926 154.7
[M+H-H2O]+ 219.09336 142.5
[M+HCOO]- 281.09430 171.5
[M+CH3COO]- 295.10995 192.9
[M+Na-2H]- 257.07077 150.9
[M]+ 236.09555 146.7
[M]- 236.09665 146.7
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