CID 37353

3-chloro-4-piperidinocoumarin

Structural Information

Molecular Formula
C14H14ClNO2
SMILES
C1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)Cl
InChI
InChI=1S/C14H14ClNO2/c15-12-13(16-8-4-1-5-9-16)10-6-2-3-7-11(10)18-14(12)17/h2-3,6-7H,1,4-5,8-9H2
InChIKey
XGSYNSVLEUYTKS-UHFFFAOYSA-N
Compound name
3-chloro-4-piperidin-1-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07132 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07860 155.5
[M+Na]+ 286.06054 172.0
[M+NH4]+ 281.10514 165.3
[M+K]+ 302.03448 163.4
[M-H]- 262.06404 161.8
[M+Na-2H]- 284.04599 163.5
[M]+ 263.07077 160.1
[M]- 263.07187 160.1
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.