CID 18072351

1219404-87-1

Structural Information

Molecular Formula
C12H16N2O2
SMILES
COC1=CC=C(C=C1)NC(=O)C2CCCN2
InChI
InChI=1S/C12H16N2O2/c1-16-10-6-4-9(5-7-10)14-12(15)11-3-2-8-13-11/h4-7,11,13H,2-3,8H2,1H3,(H,14,15)
InChIKey
PULFEDZGBMBXBR-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.5
[M+Na]+ 243.11041 154.3
[M-H]- 219.11391 153.0
[M+NH4]+ 238.15501 166.9
[M+K]+ 259.08435 151.5
[M+H-H2O]+ 203.11845 141.9
[M+HCOO]- 265.11939 170.3
[M+CH3COO]- 279.13504 186.1
[M+Na-2H]- 241.09586 152.2
[M]+ 220.12064 145.5
[M]- 220.12174 145.5
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

No patent data available for this compound.