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]+ 190.11504 140.1
[M+Na]+ 212.09698 147.7
[M-H]- 188.10048 136.8
[M+NH4]+ 207.14158 157.8
[M+K]+ 228.07092 144.8
[M+H-H2O]+ 172.10502 131.8
[M+HCOO]- 234.10596 157.3
[M+CH3COO]- 248.12161 183.1
[M+Na-2H]- 210.08243 142.9
[M]+ 189.10721 134.6
[M]- 189.10831 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.