CID 115011297

3-(difluoromethyl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₅H₁₀F₂N₂

SMILES

C1CNCC1(C(F)F)N

InChI

InChI=1S/C5H10F2N2/c6-4(7)5(8)1-2-9-3-5/h4,9H,1-3,8H2

InChIKey

KBSGIOQDTRBZCD-UHFFFAOYSA-N

Compound name

3-(difluoromethyl)pyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 136.0812 Da
Monoisotopic Mass: -0.3
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]+	137.08848	125.3
[M+Na]+	159.07042	131.6
[M-H]-	135.07392	122.8
[M+NH4]+	154.11502	147.8
[M+K]+	175.04436	129.8
[M+H-H2O]+	119.07846	118.4
[M+HCOO]-	181.07940	143.4
[M+CH3COO]-	195.09505	170.1
[M+Na-2H]-	157.05587	128.8
[M]+	136.08065	115.6
[M]-	136.08175	115.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe