CID 3042264

59318-41-1

Structural Information

Molecular Formula
C10H11N5O
SMILES
COC1=CC=C(C=C1)C2=CN=NC(=N2)NN
InChI
InChI=1S/C10H11N5O/c1-16-8-4-2-7(3-5-8)9-6-12-15-10(13-9)14-11/h2-6H,11H2,1H3,(H,13,14,15)
InChIKey
RUDCQPZUCFMBSP-UHFFFAOYSA-N
Compound name
[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

217.09636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.103636 146.7
[M+Na]+ 240.085578 155.3
[M-H]- 216.089084 149.6
[M+NH4]+ 235.130183 160.3
[M+K]+ 256.059518 151.5
[M+H-H2O]+ 200.093620 137.0
[M+HCOO]- 262.094561 170.1
[M+CH3COO]- 276.110211 191.8
[M+Na-2H]- 238.071026 155.7
[M]+ 217.09581142 145.8
[M]- 217.09690858 145.8
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

patents stripe