CID 22309128

902836-93-5

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CC(CNC1)OC2=CC=CC(=C2)C#N
InChI
InChI=1S/C12H14N2O/c13-8-10-3-1-4-11(7-10)15-12-5-2-6-14-9-12/h1,3-4,7,12,14H,2,5-6,9H2
InChIKey
OSURJDMYHKQISX-UHFFFAOYSA-N
Compound name
3-piperidin-3-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe