CID 24212029

902836-92-4

Structural Information

Molecular Formula
C12H13ClN2O
SMILES
C1CC(CNC1)OC2=CC(=C(C=C2)C#N)Cl
InChI
InChI=1S/C12H13ClN2O/c13-12-6-10(4-3-9(12)7-14)16-11-2-1-5-15-8-11/h3-4,6,11,15H,1-2,5,8H2
InChIKey
GPGZXKBRTANYCD-UHFFFAOYSA-N
Compound name
2-chloro-4-piperidin-3-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07164 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07892 152.5
[M+Na]+ 259.06086 165.3
[M+NH4]+ 254.10546 157.8
[M+K]+ 275.03480 154.7
[M-H]- 235.06436 148.6
[M+Na-2H]- 257.04631 157.1
[M]+ 236.07109 152.6
[M]- 236.07219 152.6
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.