CID 36835

2,5-dimethyl-n-phenylpyrrolidine-1-carboxamide

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC1CCC(N1C(=O)NC2=CC=CC=C2)C
InChI
InChI=1S/C13H18N2O/c1-10-8-9-11(2)15(10)13(16)14-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,16)
InChIKey
XJPOOEMIUDHWSO-UHFFFAOYSA-N
Compound name
2,5-dimethyl-N-phenylpyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

218.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 151.0
[M+Na]+ 241.131118 157.1
[M-H]- 217.134624 156.3
[M+NH4]+ 236.175723 169.8
[M+K]+ 257.105058 154.3
[M+H-H2O]+ 201.139160 143.5
[M+HCOO]- 263.140101 172.9
[M+CH3COO]- 277.155751 190.0
[M+Na-2H]- 239.116566 152.9
[M]+ 218.14135142 148.2
[M]- 218.14244858 148.2
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