CID 61326843

[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C5H6F3N3O
SMILES
C(C1=NC(=NO1)CN)C(F)(F)F
InChI
InChI=1S/C5H6F3N3O/c6-5(7,8)1-4-10-3(2-9)11-12-4/h1-2,9H2
InChIKey
WCVRGURSGXXFRL-UHFFFAOYSA-N
Compound name
[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0463 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05358 131.2
[M+Na]+ 204.03552 140.9
[M-H]- 180.03902 128.9
[M+NH4]+ 199.08012 148.6
[M+K]+ 220.00946 140.1
[M+H-H2O]+ 164.04356 122.1
[M+HCOO]- 226.04450 150.1
[M+CH3COO]- 240.06015 179.9
[M+Na-2H]- 202.02097 137.5
[M]+ 181.04575 127.9
[M]- 181.04685 127.9
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

No patent data available for this compound.