CID 4961580

793679-02-4

Structural Information

Molecular Formula
C14H16ClNO3
SMILES
C1CC(N(C1)C(=O)CCl)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C14H16ClNO3/c15-9-14(17)16-5-1-2-11(16)10-3-4-12-13(8-10)19-7-6-18-12/h3-4,8,11H,1-2,5-7,9H2
InChIKey
RIZYPZARPUANTD-UHFFFAOYSA-N
Compound name
2-chloro-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

281.08188 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08916 163.5
[M+Na]+ 304.07110 170.1
[M-H]- 280.07460 170.0
[M+NH4]+ 299.11570 178.7
[M+K]+ 320.04504 167.9
[M+H-H2O]+ 264.07914 156.7
[M+HCOO]- 326.08008 174.6
[M+CH3COO]- 340.09573 174.6
[M+Na-2H]- 302.05655 166.0
[M]+ 281.08133 163.8
[M]- 281.08243 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.