CID 65649099

{[1-(2,2-difluoroethyl)-1h-1,2,4-triazol-5-yl]methyl}(methyl)amine

Structural Information

Molecular Formula
C6H10F2N4
SMILES
CNCC1=NC=NN1CC(F)F
InChI
InChI=1S/C6H10F2N4/c1-9-2-6-10-4-11-12(6)3-5(7)8/h4-5,9H,2-3H2,1H3
InChIKey
HFDQTPVLHGISJT-UHFFFAOYSA-N
Compound name
1-[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08736 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09464 133.5
[M+Na]+ 199.07658 142.0
[M-H]- 175.08008 130.7
[M+NH4]+ 194.12118 151.2
[M+K]+ 215.05052 140.4
[M+H-H2O]+ 159.08462 123.6
[M+HCOO]- 221.08556 153.8
[M+CH3COO]- 235.10121 182.8
[M+Na-2H]- 197.06203 138.2
[M]+ 176.08681 131.4
[M]- 176.08791 131.4
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.