CID 3353222

Methyl({[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl})amine

Structural Information

Molecular Formula
C6H7F3N2S
SMILES
CNCC1=NC(=CS1)C(F)(F)F
InChI
InChI=1S/C6H7F3N2S/c1-10-2-5-11-4(3-12-5)6(7,8)9/h3,10H,2H2,1H3
InChIKey
PMTAJXFTZWVRGZ-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.0282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.035476 133.9
[M+Na]+ 219.017418 143.4
[M-H]- 195.020924 132.9
[M+NH4]+ 214.062023 154.3
[M+K]+ 234.991358 140.6
[M+H-H2O]+ 179.025460 125.5
[M+HCOO]- 241.026401 149.9
[M+CH3COO]- 255.042051 182.7
[M+Na-2H]- 217.002866 136.5
[M]+ 196.02765142 131.8
[M]- 196.02874858 131.8
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

patents stripe