CID 199918

Propiophenone, 4'-methoxy-3-pyrrolidinyl-, hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCN2CCCC2
InChI
InChI=1S/C14H19NO2/c1-17-13-6-4-12(5-7-13)14(16)8-11-15-9-2-3-10-15/h4-7H,2-3,8-11H2,1H3
InChIKey
JWDNYWPERHRMIN-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.8
[M+Na]+ 256.13081 160.0
[M-H]- 232.13431 159.4
[M+NH4]+ 251.17541 172.6
[M+K]+ 272.10475 157.6
[M+H-H2O]+ 216.13885 146.9
[M+HCOO]- 278.13979 175.4
[M+CH3COO]- 292.15544 190.4
[M+Na-2H]- 254.11626 156.3
[M]+ 233.14104 154.2
[M]- 233.14214 154.2
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