CID 66441429

5-(difluoromethyl)-1-(2-methylpropyl)-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula
C8H13F2N3
SMILES
CC(C)CN1C(=C(C=N1)N)C(F)F
InChI
InChI=1S/C8H13F2N3/c1-5(2)4-13-7(8(9)10)6(11)3-12-13/h3,5,8H,4,11H2,1-2H3
InChIKey
BFIPUBWCRSLMPN-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.115036 139.4
[M+Na]+ 212.096978 147.8
[M-H]- 188.100484 137.7
[M+NH4]+ 207.141583 158.0
[M+K]+ 228.070918 145.8
[M+H-H2O]+ 172.105020 130.6
[M+HCOO]- 234.105961 158.7
[M+CH3COO]- 248.121611 187.4
[M+Na-2H]- 210.082426 140.1
[M]+ 189.10721142 136.2
[M]- 189.10830858 136.2
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

No patent data available for this compound.