CID 121173

[3-(dimethylamino)phenyl](pyrrolidin-1-yl)methanone

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
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References

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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 151.4
[M+Na]+ 241.13112 162.0
[M+NH4]+ 236.17572 159.8
[M+K]+ 257.10506 157.8
[M-H]- 217.13462 155.0
[M+Na-2H]- 239.11657 158.0
[M]+ 218.14135 153.7
[M]- 218.14245 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.