CID 85813

15190-12-2

Structural Information

Molecular Formula
C13H16N2O
SMILES
COC1=CC=C(C=C1)C(C#N)N2CCCC2
InChI
InChI=1S/C13H16N2O/c1-16-12-6-4-11(5-7-12)13(10-14)15-8-2-3-9-15/h4-7,13H,2-3,8-9H2,1H3
InChIKey
CSZHKEHWBYJMGQ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 151.8
[M+Na]+ 239.11549 162.7
[M+NH4]+ 234.16009 156.7
[M+K]+ 255.08943 154.6
[M-H]- 215.11899 147.2
[M+Na-2H]- 237.10094 155.5
[M]+ 216.12572 151.1
[M]- 216.12682 151.1
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.