CID 72213485

1-[5-(trifluoromethyl)pyrimidin-2-yl]ethan-1-aminehydrochloride

Structural Information

Molecular Formula
C7H8F3N3
SMILES
CC(C1=NC=C(C=N1)C(F)(F)F)N
InChI
InChI=1S/C7H8F3N3/c1-4(11)6-12-2-5(3-13-6)7(8,9)10/h2-4H,11H2,1H3
InChIKey
WSMHQFGEMUSHBN-UHFFFAOYSA-N
Compound name
1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

191.06703 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07431 136.9
[M+Na]+ 214.05625 145.7
[M-H]- 190.05975 133.8
[M+NH4]+ 209.10085 153.4
[M+K]+ 230.03019 143.0
[M+H-H2O]+ 174.06429 127.4
[M+HCOO]- 236.06523 154.1
[M+CH3COO]- 250.08088 184.7
[M+Na-2H]- 212.04170 142.4
[M]+ 191.06648 130.9
[M]- 191.06758 130.9
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

patents stripe