CID 16226868

900137-36-2

Structural Information

Molecular Formula
C14H18ClNO3
SMILES
COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CCl
InChI
InChI=1S/C14H18ClNO3/c1-18-10-5-6-13(19-2)11(8-10)12-4-3-7-16(12)14(17)9-15/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKey
RZXUCAQMZIQIRL-UHFFFAOYSA-N
Compound name
2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.09753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10481 162.8
[M+Na]+ 306.08675 174.9
[M+NH4]+ 301.13135 170.3
[M+K]+ 322.06069 170.1
[M-H]- 282.09025 164.9
[M+Na-2H]- 304.07220 168.0
[M]+ 283.09698 165.2
[M]- 283.09808 165.2
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

patents stripe