CID 690739

35554-74-6

Structural Information

Molecular Formula
C11H9N5
SMILES
C1=CC=C2C(=C1)C(=CN2)C=NN3C=NN=C3
InChI
InChI=1S/C11H9N5/c1-2-4-11-10(3-1)9(5-12-11)6-15-16-7-13-14-8-16/h1-8,12H
InChIKey
XBDRNNWKGLPRIX-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.093076 142.7
[M+Na]+ 234.075018 153.3
[M-H]- 210.078524 146.2
[M+NH4]+ 229.119623 160.2
[M+K]+ 250.048958 148.7
[M+H-H2O]+ 194.083060 133.0
[M+HCOO]- 256.084001 166.9
[M+CH3COO]- 270.099651 155.8
[M+Na-2H]- 232.060466 150.4
[M]+ 211.08525142 143.7
[M]- 211.08634858 143.7
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.