CID 3041948

Ethanol, 2-((4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl)amino)-

Structural Information

Molecular Formula
C7H9F3N4O
SMILES
CC1=NC(=NC(=N1)NCCO)C(F)(F)F
InChI
InChI=1S/C7H9F3N4O/c1-4-12-5(7(8,9)10)14-6(13-4)11-2-3-15/h15H,2-3H2,1H3,(H,11,12,13,14)
InChIKey
LQXCPZODGZUKED-UHFFFAOYSA-N
Compound name
2-[[4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.07285 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08013 145.4
[M+Na]+ 245.06207 154.9
[M-H]- 221.06557 140.3
[M+NH4]+ 240.10667 159.1
[M+K]+ 261.03601 151.4
[M+H-H2O]+ 205.07011 135.2
[M+HCOO]- 267.07105 161.5
[M+CH3COO]- 281.08670 188.1
[M+Na-2H]- 243.04752 152.0
[M]+ 222.07230 141.5
[M]- 222.07340 141.5
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.