CID 62732106

{[1-(2,2-difluoroethyl)-1h-pyrazol-4-yl]methyl}(methyl)amine hydrochloride

Structural Information

Molecular Formula
C7H11F2N3
SMILES
CNCC1=CN(N=C1)CC(F)F
InChI
InChI=1S/C7H11F2N3/c1-10-2-6-3-11-12(4-6)5-7(8)9/h3-4,7,10H,2,5H2,1H3
InChIKey
RDNFUFPUZLDGJD-UHFFFAOYSA-N
Compound name
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0921 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.099376 134.0
[M+Na]+ 198.081318 142.0
[M-H]- 174.084824 132.4
[M+NH4]+ 193.125923 153.1
[M+K]+ 214.055258 140.2
[M+H-H2O]+ 158.089360 124.8
[M+HCOO]- 220.090301 155.2
[M+CH3COO]- 234.105951 183.0
[M+Na-2H]- 196.066766 138.2
[M]+ 175.09155142 131.6
[M]- 175.09264858 131.6
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.