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 147.9
[M+Na]+ 239.11549 158.3
[M-H]- 215.11899 152.3
[M+NH4]+ 234.16009 166.8
[M+K]+ 255.08943 153.1
[M+H-H2O]+ 199.12353 134.4
[M+HCOO]- 261.12447 166.1
[M+CH3COO]- 275.14012 198.8
[M+Na-2H]- 237.10094 151.6
[M]+ 216.12572 142.5
[M]- 216.12682 142.5
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.