CID 55295499

1314923-46-0

Structural Information

Molecular Formula
C5H7F3N4
SMILES
C1=C(N=NN1CCN)C(F)(F)F
InChI
InChI=1S/C5H7F3N4/c6-5(7,8)4-3-12(2-1-9)11-10-4/h3H,1-2,9H2
InChIKey
CSISGKNXOUJXFZ-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)triazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.06229 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06957 132.4
[M+Na]+ 203.05151 142.0
[M-H]- 179.05501 128.1
[M+NH4]+ 198.09611 149.8
[M+K]+ 219.02545 139.8
[M+H-H2O]+ 163.05955 122.4
[M+HCOO]- 225.06049 150.6
[M+CH3COO]- 239.07614 180.8
[M+Na-2H]- 201.03696 137.8
[M]+ 180.06174 127.6
[M]- 180.06284 127.6
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.