CID 66678821

1364677-67-7

Structural Information

Molecular Formula
C4H4F3N3O
SMILES
C(C1=NOC(=N1)C(F)(F)F)N
InChI
InChI=1S/C4H4F3N3O/c5-4(6,7)3-9-2(1-8)10-11-3/h1,8H2
InChIKey
WMAOXYRYNOOQMD-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

167.03064 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03792 126.5
[M+Na]+ 190.01986 136.6
[M-H]- 166.02336 124.4
[M+NH4]+ 185.06446 144.5
[M+K]+ 205.99380 136.0
[M+H-H2O]+ 150.02790 117.6
[M+HCOO]- 212.02884 145.7
[M+CH3COO]- 226.04449 176.9
[M+Na-2H]- 188.00531 133.4
[M]+ 167.03009 122.8
[M]- 167.03119 122.8
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