CID 3051568

67466-51-7

Structural Information

Molecular Formula
C11H13Cl2NO
SMILES
CC1CC(CN1)(C2=CC(=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C11H13Cl2NO/c1-7-5-11(15,6-14-7)8-2-3-9(12)10(13)4-8/h2-4,7,14-15H,5-6H2,1H3
InChIKey
SDZVORGOTYWWMX-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-5-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.03741 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04469 150.9
[M+Na]+ 268.02663 160.6
[M-H]- 244.03013 153.2
[M+NH4]+ 263.07123 170.9
[M+K]+ 284.00057 153.6
[M+H-H2O]+ 228.03467 146.4
[M+HCOO]- 290.03561 160.4
[M+CH3COO]- 304.05126 162.6
[M+Na-2H]- 266.01208 152.8
[M]+ 245.03686 149.4
[M]- 245.03796 149.4
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

No patent data available for this compound.