CID 12827589

2-(4-methoxyphenyl)-1-methylpyrrolidine-2-carbonitrile

Structural Information

Molecular Formula
C13H16N2O
SMILES
CN1CCCC1(C#N)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H16N2O/c1-15-9-3-8-13(15,10-14)11-4-6-12(16-2)7-5-11/h4-7H,3,8-9H2,1-2H3
InChIKey
UNAHDGVFECZDIV-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1-methylpyrrolidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.1
[M+Na]+ 239.11549 159.8
[M+NH4]+ 234.16009 154.4
[M+K]+ 255.08943 149.9
[M-H]- 215.11899 143.8
[M+Na-2H]- 237.10094 153.6
[M]+ 216.12572 147.9
[M]- 216.12682 147.9
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.