CID 83846709

1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C5H5F3N2S
SMILES
C1=C(SC(=N1)CN)C(F)(F)F
InChI
InChI=1S/C5H5F3N2S/c6-5(7,8)3-2-10-4(1-9)11-3/h2H,1,9H2
InChIKey
GPVZTRVJWUDRTN-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.01256 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01984 129.5
[M+Na]+ 205.00178 139.5
[M-H]- 181.00528 128.2
[M+NH4]+ 200.04638 150.2
[M+K]+ 220.97572 136.6
[M+H-H2O]+ 165.00982 121.4
[M+HCOO]- 227.01076 145.2
[M+CH3COO]- 241.02641 179.0
[M+Na-2H]- 202.98723 131.7
[M]+ 182.01201 126.1
[M]- 182.01311 126.1
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.