CID 119031272

2,2-difluoro-2-[3-(propan-2-yl)-1h-pyrazol-5-yl]ethan-1-amine

Structural Information

Molecular Formula
C8H13F2N3
SMILES
CC(C)C1=CC(=NN1)C(CN)(F)F
InChI
InChI=1S/C8H13F2N3/c1-5(2)6-3-7(13-12-6)8(9,10)4-11/h3,5H,4,11H2,1-2H3,(H,12,13)
InChIKey
KUXKBZKRYMNXRU-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(5-propan-2-yl-1H-pyrazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10776 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.115036 140.1
[M+Na]+ 212.096978 147.7
[M-H]- 188.100484 136.8
[M+NH4]+ 207.141583 157.8
[M+K]+ 228.070918 144.8
[M+H-H2O]+ 172.105020 131.8
[M+HCOO]- 234.105961 157.3
[M+CH3COO]- 248.121611 183.1
[M+Na-2H]- 210.082426 142.9
[M]+ 189.10721142 134.6
[M]- 189.10830858 134.6
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

No patent data available for this compound.