CID 11241109

4-(piperidin-4-yloxy)benzonitrile

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CNCCC1OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C12H14N2O/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12,14H,5-8H2
InChIKey
DRIREFRFHFBPIN-UHFFFAOYSA-N
Compound name
4-piperidin-4-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

227
Patents

202.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.9
[M+Na]+ 225.09983 152.3
[M-H]- 201.10333 147.0
[M+NH4]+ 220.14443 159.6
[M+K]+ 241.07377 147.1
[M+H-H2O]+ 185.10787 130.9
[M+HCOO]- 247.10881 159.8
[M+CH3COO]- 261.12446 193.6
[M+Na-2H]- 223.08528 149.5
[M]+ 202.11006 134.8
[M]- 202.11116 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe