CID 138991202

1-methyl-4-(trifluoromethyl)-1h-imidazol-2-amine

Structural Information

Molecular Formula
C5H6F3N3
SMILES
CN1C=C(N=C1N)C(F)(F)F
InChI
InChI=1S/C5H6F3N3/c1-11-2-3(5(6,7)8)10-4(11)9/h2H,1H3,(H2,9,10)
InChIKey
OHMMASVCQMKQNO-UHFFFAOYSA-N
Compound name
1-methyl-4-(trifluoromethyl)imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05138 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05866 127.9
[M+Na]+ 188.04060 138.5
[M-H]- 164.04410 125.5
[M+NH4]+ 183.08520 147.6
[M+K]+ 204.01454 136.4
[M+H-H2O]+ 148.04864 119.2
[M+HCOO]- 210.04958 147.5
[M+CH3COO]- 224.06523 179.1
[M+Na-2H]- 186.02605 132.7
[M]+ 165.05083 122.9
[M]- 165.05193 122.9
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.