CID 50989220

2-chloro-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
COC1=CC=CC(=C1)C2CCCN2C(=O)CCl
InChI
InChI=1S/C13H16ClNO2/c1-17-11-5-2-4-10(8-11)12-6-3-7-15(12)13(16)9-14/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKey
ZQQWOJHESAIQJL-UHFFFAOYSA-N
Compound name
2-chloro-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.08696 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 157.1
[M+Na]+ 276.07618 164.6
[M-H]- 252.07968 162.0
[M+NH4]+ 271.12078 175.4
[M+K]+ 292.05012 160.5
[M+H-H2O]+ 236.08422 150.2
[M+HCOO]- 298.08516 173.3
[M+CH3COO]- 312.10081 191.6
[M+Na-2H]- 274.06163 157.9
[M]+ 253.08641 158.4
[M]- 253.08751 158.4
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