CID 24208869

3-methoxy-4-(4-piperidinyloxy)benzonitrile

Structural Information

Molecular Formula
C13H16N2O2
SMILES
COC1=C(C=CC(=C1)C#N)OC2CCNCC2
InChI
InChI=1S/C13H16N2O2/c1-16-13-8-10(9-14)2-3-12(13)17-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7H2,1H3
InChIKey
IYJWLXVYDNCWEN-UHFFFAOYSA-N
Compound name
3-methoxy-4-piperidin-4-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.0
[M+Na]+ 255.11041 158.8
[M-H]- 231.11391 153.4
[M+NH4]+ 250.15501 164.9
[M+K]+ 271.08435 154.1
[M+H-H2O]+ 215.11845 136.9
[M+HCOO]- 277.11939 165.9
[M+CH3COO]- 291.13504 199.2
[M+Na-2H]- 253.09586 154.7
[M]+ 232.12064 142.9
[M]- 232.12174 142.9
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.