CID 59231937

4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=C(N2C(=C1)C(=NC=N2)N)C=O
InChI
InChI=1S/C7H6N4O/c8-7-6-2-1-5(3-12)11(6)10-4-9-7/h1-4H,(H2,8,9,10)
InChIKey
AUSIXBDHIDXLFK-UHFFFAOYSA-N
Compound name
4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

162.05415 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.061426 129.5
[M+Na]+ 185.043368 141.6
[M-H]- 161.046874 130.8
[M+NH4]+ 180.087973 149.0
[M+K]+ 201.017308 138.3
[M+H-H2O]+ 145.051410 121.9
[M+HCOO]- 207.052351 153.7
[M+CH3COO]- 221.068001 143.8
[M+Na-2H]- 183.028816 138.3
[M]+ 162.05360142 131.1
[M]- 162.05469858 131.1
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