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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.083726 129.4
[M+Na]+ 184.065668 137.8
[M-H]- 160.069174 127.9
[M+NH4]+ 179.110273 149.0
[M+K]+ 200.039608 136.3
[M+H-H2O]+ 144.073710 120.4
[M+HCOO]- 206.074651 150.9
[M+CH3COO]- 220.090301 180.0
[M+Na-2H]- 182.051116 134.1
[M]+ 161.07590142 126.6
[M]- 161.07699858 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe