CID 121173

Brn 1345223

Structural Information

Molecular Formula
C13H18N2O
SMILES
CN(C)C1=CC=CC(=C1)C(=O)N2CCCC2
InChI
InChI=1S/C13H18N2O/c1-14(2)12-7-5-6-11(10-12)13(16)15-8-3-4-9-15/h5-7,10H,3-4,8-9H2,1-2H3
InChIKey
OBJOHJCEZDFDKC-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)phenyl]-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 150.9
[M+Na]+ 241.131118 156.0
[M-H]- 217.134624 157.2
[M+NH4]+ 236.175723 169.8
[M+K]+ 257.105058 154.6
[M+H-H2O]+ 201.139160 142.9
[M+HCOO]- 263.140101 173.2
[M+CH3COO]- 277.155751 193.0
[M+Na-2H]- 239.116566 152.7
[M]+ 218.14135142 149.0
[M]- 218.14244858 149.0
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.