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 150.9
[M+Na]+ 259.06086 160.0
[M-H]- 235.06436 153.2
[M+NH4]+ 254.10546 165.5
[M+K]+ 275.03480 153.1
[M+H-H2O]+ 219.06890 137.7
[M+HCOO]- 281.06984 161.8
[M+CH3COO]- 295.08549 160.6
[M+Na-2H]- 257.04631 154.4
[M]+ 236.07109 143.0
[M]- 236.07219 143.0
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.