CID 135449248

35546-64-6

Structural Information

Molecular Formula
C11H12N4O2
SMILES
CCOC1=C(C=CC(=C1)/C=N/N2C=NN=C2)O
InChI
InChI=1S/C11H12N4O2/c1-2-17-11-5-9(3-4-10(11)16)6-14-15-7-12-13-8-15/h3-8,16H,2H2,1H3/b14-6+
InChIKey
HSFWYOMSBYLXGW-MKMNVTDBSA-N
Compound name
2-ethoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

232.09602 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.103296 149.7
[M+Na]+ 255.085238 158.7
[M-H]- 231.088744 153.0
[M+NH4]+ 250.129843 165.1
[M+K]+ 271.059178 155.6
[M+H-H2O]+ 215.093280 140.3
[M+HCOO]- 277.094221 173.5
[M+CH3COO]- 291.109871 190.9
[M+Na-2H]- 253.070686 155.8
[M]+ 232.09547142 152.1
[M]- 232.09656858 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.