CID 83681980

3-methyl-3-(trifluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₀F₃N

SMILES

CC1(CCNC1)C(F)(F)F

InChI

InChI=1S/C6H10F3N/c1-5(6(7,8)9)2-3-10-4-5/h10H,2-4H2,1H3

InChIKey

NMSOGYZRNLIMKH-UHFFFAOYSA-N

Compound name

3-methyl-3-(trifluoromethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 153.07654 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]+	154.08382	128.4
[M+Na]+	176.06576	136.0
[M-H]-	152.06926	125.2
[M+NH4]+	171.11036	151.1
[M+K]+	192.03970	134.0
[M+H-H2O]+	136.07380	121.5
[M+HCOO]-	198.07474	144.2
[M+CH3COO]-	212.09039	170.7
[M+Na-2H]-	174.05121	133.5
[M]+	153.07599	119.7
[M]-	153.07709	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe