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]+ 233.128466 151.0
[M+Na]+ 255.110408 158.8
[M-H]- 231.113914 153.4
[M+NH4]+ 250.155013 164.9
[M+K]+ 271.084348 154.1
[M+H-H2O]+ 215.118450 136.9
[M+HCOO]- 277.119391 165.9
[M+CH3COO]- 291.135041 199.2
[M+Na-2H]- 253.095856 154.7
[M]+ 232.12064142 142.9
[M]- 232.12173858 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.