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 156.2
[M+Na]+ 286.06054 165.1
[M-H]- 262.06404 162.7
[M+NH4]+ 281.10514 172.0
[M+K]+ 302.03448 160.8
[M+H-H2O]+ 246.06858 148.4
[M+HCOO]- 308.06952 169.7
[M+CH3COO]- 322.08517 168.2
[M+Na-2H]- 284.04599 162.3
[M]+ 263.07077 156.3
[M]- 263.07187 156.3
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.