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]+ 219.14918 150.9
[M+Na]+ 241.13112 156.0
[M-H]- 217.13462 157.2
[M+NH4]+ 236.17572 169.8
[M+K]+ 257.10506 154.6
[M+H-H2O]+ 201.13916 142.9
[M+HCOO]- 263.14010 173.2
[M+CH3COO]- 277.15575 193.0
[M+Na-2H]- 239.11657 152.7
[M]+ 218.14135 149.0
[M]- 218.14245 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.