CID 3051556

67466-45-9

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

CC1CC(CN1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C11H14ClNO/c1-8-6-11(14,7-13-8)9-2-4-10(12)5-3-9/h2-5,8,13-14H,6-7H2,1H3

InChIKey

HPHPVPDKKJHDFJ-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-5-methylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.07639 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.08367	144.7
[M+Na]+	234.06561	157.4
[M+NH4]+	229.11021	155.1
[M+K]+	250.03955	150.3
[M-H]-	210.06911	147.3
[M+Na-2H]-	232.05106	152.6
[M]+	211.07584	147.6
[M]-	211.07694	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe