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]+ 190.11504 139.4
[M+Na]+ 212.09698 147.8
[M-H]- 188.10048 137.7
[M+NH4]+ 207.14158 158.0
[M+K]+ 228.07092 145.8
[M+H-H2O]+ 172.10502 130.6
[M+HCOO]- 234.10596 158.7
[M+CH3COO]- 248.12161 187.4
[M+Na-2H]- 210.08243 140.1
[M]+ 189.10721 136.2
[M]- 189.10831 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.