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

1
Patents

196.0282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03548 133.9
[M+Na]+ 219.01742 143.4
[M-H]- 195.02092 132.9
[M+NH4]+ 214.06202 154.3
[M+K]+ 234.99136 140.6
[M+H-H2O]+ 179.02546 125.5
[M+HCOO]- 241.02640 149.9
[M+CH3COO]- 255.04205 182.7
[M+Na-2H]- 217.00287 136.5
[M]+ 196.02765 131.8
[M]- 196.02875 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