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

5
Patents

218.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 151.2
[M+Na]+ 241.13112 155.8
[M-H]- 217.13462 154.6
[M+NH4]+ 236.17572 168.8
[M+K]+ 257.10506 152.1
[M+H-H2O]+ 201.13916 143.6
[M+HCOO]- 263.14010 171.5
[M+CH3COO]- 277.15575 187.0
[M+Na-2H]- 239.11657 153.4
[M]+ 218.14135 146.2
[M]- 218.14245 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