CID 89826230

2445749-80-2

Structural Information

Molecular Formula

C₇H₁₃F₂NO

SMILES

CC(C)([C@@H]1CC(CN1)(F)F)O

InChI

InChI=1S/C7H13F2NO/c1-6(2,11)5-3-7(8,9)4-10-5/h5,10-11H,3-4H2,1-2H3/t5-/m0/s1

InChIKey

JNRKLLKVTBLSNJ-YFKPBYRVSA-N

Compound name

2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 165.09653 Da
Monoisotopic Mass: 0.6
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]+	166.10381	133.5
[M+Na]+	188.08575	141.0
[M-H]-	164.08925	130.4
[M+NH4]+	183.13035	155.3
[M+K]+	204.05969	138.7
[M+H-H2O]+	148.09379	127.9
[M+HCOO]-	210.09473	148.7
[M+CH3COO]-	224.11038	172.0
[M+Na-2H]-	186.07120	137.6
[M]+	165.09598	126.4
[M]-	165.09708	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe