CID 3051644

67596-38-7

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC(CC1=CC=CC=C1)NC(=O)C2CCC(=O)N2
InChI
InChI=1S/C14H18N2O2/c1-10(9-11-5-3-2-4-6-11)15-14(18)12-7-8-13(17)16-12/h2-6,10,12H,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKey
MDBCANRHEWWVAL-UHFFFAOYSA-N
Compound name
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.13683 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 158.1
[M+Na]+ 269.12605 162.1
[M-H]- 245.12955 161.4
[M+NH4]+ 264.17065 174.2
[M+K]+ 285.09999 158.6
[M+H-H2O]+ 229.13409 150.3
[M+HCOO]- 291.13503 177.4
[M+CH3COO]- 305.15068 192.2
[M+Na-2H]- 267.11150 158.5
[M]+ 246.13628 153.5
[M]- 246.13738 153.5
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