CID 21701186

N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC1=CC=CC=C1CNC(=O)C2CCCN2
InChI
InChI=1S/C13H18N2O/c1-10-5-2-3-6-11(10)9-15-13(16)12-7-4-8-14-12/h2-3,5-6,12,14H,4,7-9H2,1H3,(H,15,16)
InChIKey
GIZSAZMSNKEJAE-UHFFFAOYSA-N
Compound name
N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 151.2
[M+Na]+ 241.131118 155.8
[M-H]- 217.134624 154.6
[M+NH4]+ 236.175723 168.8
[M+K]+ 257.105058 152.1
[M+H-H2O]+ 201.139160 143.6
[M+HCOO]- 263.140101 171.5
[M+CH3COO]- 277.155751 187.0
[M+Na-2H]- 239.116566 153.4
[M]+ 218.14135142 146.2
[M]- 218.14244858 146.2
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