CID 12486799

N-(2,6-dimethylphenyl)-2-pyrrolidinecarboxamide

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CCCN2
InChI
InChI=1S/C13H18N2O/c1-9-5-3-6-10(2)12(9)15-13(16)11-7-4-8-14-11/h3,5-6,11,14H,4,7-8H2,1-2H3,(H,15,16)
InChIKey
ZPLMCERXQHDONG-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

218.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 151.2
[M+Na]+ 241.131118 156.7
[M-H]- 217.134624 155.0
[M+NH4]+ 236.175723 169.1
[M+K]+ 257.105058 153.0
[M+H-H2O]+ 201.139160 143.9
[M+HCOO]- 263.140101 171.5
[M+CH3COO]- 277.155751 188.2
[M+Na-2H]- 239.116566 152.6
[M]+ 218.14135142 146.6
[M]- 218.14244858 146.6
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