CID 21187507

1-methyl-1h-1,2,3-triazole-5-carbaldehyde

Structural Information

Molecular Formula
C4H5N3O
SMILES
CN1C(=CN=N1)C=O
InChI
InChI=1S/C4H5N3O/c1-7-4(3-8)2-5-6-7/h2-3H,1H3
InChIKey
VFAQDMYUCHBIJL-UHFFFAOYSA-N
Compound name
3-methyltriazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

111.04326 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05054 119.6
[M+Na]+ 134.03248 131.7
[M+NH4]+ 129.07708 126.9
[M+K]+ 150.00642 128.5
[M-H]- 110.03598 118.9
[M+Na-2H]- 132.01793 125.5
[M]+ 111.04271 120.8
[M]- 111.04381 120.8
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