CID 130722640

2-[3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H11F2N3
SMILES
CN1C=C(C(=N1)C(F)F)CCN
InChI
InChI=1S/C7H11F2N3/c1-12-4-5(2-3-10)6(11-12)7(8)9/h4,7H,2-3,10H2,1H3
InChIKey
LVRLYWUOLXLCHF-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethyl)-1-methylpyrazol-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0921 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.099376 134.3
[M+Na]+ 198.081318 143.3
[M-H]- 174.084824 132.6
[M+NH4]+ 193.125923 153.5
[M+K]+ 214.055258 141.2
[M+H-H2O]+ 158.089360 125.6
[M+HCOO]- 220.090301 155.0
[M+CH3COO]- 234.105951 183.5
[M+Na-2H]- 196.066766 136.7
[M]+ 175.09155142 131.3
[M]- 175.09264858 131.3
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.