CID 165985156

2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H5F3N2O
SMILES
C1=COC(=N1)C(C(F)(F)F)N
InChI
InChI=1S/C5H5F3N2O/c6-5(7,8)3(9)4-10-1-2-11-4/h1-3H,9H2
InChIKey
KXJOZYZDUBPNGF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.0354 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04268 127.1
[M+Na]+ 189.02462 135.6
[M-H]- 165.02812 126.0
[M+NH4]+ 184.06922 146.1
[M+K]+ 204.99856 135.4
[M+H-H2O]+ 149.03266 118.8
[M+HCOO]- 211.03360 146.4
[M+CH3COO]- 225.04925 176.8
[M+Na-2H]- 187.01007 133.1
[M]+ 166.03485 122.2
[M]- 166.03595 122.2
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.