CID 120920

2-methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-pyrrolidinol hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO

SMILES

CC1C(CCN1)(C2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C12H14F3NO/c1-8-11(17,5-6-16-8)9-3-2-4-10(7-9)12(13,14)15/h2-4,7-8,16-17H,5-6H2,1H3

InChIKey

LOWSRUNRORMYLE-UHFFFAOYSA-N

Compound name

2-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.10275 Da
Monoisotopic Mass: 1.9
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]+	246.110026	151.8
[M+Na]+	268.091968	159.8
[M-H]-	244.095474	150.8
[M+NH4]+	263.136573	170.4
[M+K]+	284.065908	154.9
[M+H-H2O]+	228.100010	143.7
[M+HCOO]-	290.100951	165.9
[M+CH3COO]-	304.116601	185.8
[M+Na-2H]-	266.077416	154.3
[M]+	245.10220142	143.4
[M]-	245.10329858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.