CID 60136579

1432031-96-3

Structural Information

Molecular Formula

C₆H₉F₂N₃

SMILES

CNCC1=NN(C=C1)C(F)F

InChI

InChI=1S/C6H9F2N3/c1-9-4-5-2-3-11(10-5)6(7)8/h2-3,6,9H,4H2,1H3

InChIKey

NJVXTDOVVPQVNQ-UHFFFAOYSA-N

Compound name

1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 161.07645 Da
Monoisotopic Mass: 0.5
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]+	162.08373	131.8
[M+Na]+	184.06567	140.4
[M+NH4]+	179.11027	138.0
[M+K]+	200.03961	137.4
[M-H]-	160.06917	129.5
[M+Na-2H]-	182.05112	135.9
[M]+	161.07590	131.9
[M]-	161.07700	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe