CID 54595516

3-methoxy-3-(trifluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₀F₃NO

SMILES

COC1(CCNC1)C(F)(F)F

InChI

InChI=1S/C6H10F3NO/c1-11-5(6(7,8)9)2-3-10-4-5/h10H,2-4H2,1H3

InChIKey

KZMBLHMFRVHVQT-UHFFFAOYSA-N

Compound name

3-methoxy-3-(trifluoromethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 169.07144 Da
Monoisotopic Mass: 0.8
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]+	170.07872	139.1
[M+Na]+	192.06066	145.1
[M+NH4]+	187.10526	145.6
[M+K]+	208.03460	141.1
[M-H]-	168.06416	134.1
[M+Na-2H]-	190.04611	142.0
[M]+	169.07089	138.2
[M]-	169.07199	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe