CID 3780076

3-(phenoxymethyl)-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C9H10N4O
SMILES
C1=CC=C(C=C1)OCC2=NC(=NN2)N
InChI
InChI=1S/C9H10N4O/c10-9-11-8(12-13-9)6-14-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)
InChIKey
XXHUVGCYCSAISW-UHFFFAOYSA-N
Compound name
5-(phenoxymethyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

190.08546 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 139.7
[M+Na]+ 213.07468 151.7
[M+NH4]+ 208.11928 146.7
[M+K]+ 229.04862 148.0
[M-H]- 189.07818 141.5
[M+Na-2H]- 211.06013 147.4
[M]+ 190.08491 141.6
[M]- 190.08601 141.6
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

patents stripe