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

17
Patents

167.03064 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.037916 126.5
[M+Na]+ 190.019858 136.6
[M-H]- 166.023364 124.4
[M+NH4]+ 185.064463 144.5
[M+K]+ 205.993798 136.0
[M+H-H2O]+ 150.027900 117.6
[M+HCOO]- 212.028841 145.7
[M+CH3COO]- 226.044491 176.9
[M+Na-2H]- 188.005306 133.4
[M]+ 167.03009142 122.8
[M]- 167.03118858 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