CID 90993

Rolicyprine

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C1CC(=O)NC1C(=O)NC2CC2C3=CC=CC=C3
InChI
InChI=1S/C14H16N2O2/c17-13-7-6-11(15-13)14(18)16-12-8-10(12)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,15,17)(H,16,18)
InChIKey
UGSLDMJXBQKDCT-UHFFFAOYSA-N
Compound name
5-oxo-N-(2-phenylcyclopropyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1158
Patents

244.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 152.6
[M+Na]+ 267.11041 159.9
[M-H]- 243.11391 160.1
[M+NH4]+ 262.15501 164.4
[M+K]+ 283.08435 154.6
[M+H-H2O]+ 227.11845 145.3
[M+HCOO]- 289.11939 173.5
[M+CH3COO]- 303.13504 194.0
[M+Na-2H]- 265.09586 154.4
[M]+ 244.12064 150.5
[M]- 244.12174 150.5
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