CID 89402065

2-methyl-2h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula
C4H5N3O
SMILES
CN1N=CC(=N1)C=O
InChI
InChI=1S/C4H5N3O/c1-7-5-2-4(3-8)6-7/h2-3H,1H3
InChIKey
ADIHVKJNUPTHMC-UHFFFAOYSA-N
Compound name
2-methyltriazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

111.04326 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05054 117.8
[M+Na]+ 134.03248 128.6
[M-H]- 110.03598 118.0
[M+NH4]+ 129.07708 138.6
[M+K]+ 150.00642 127.9
[M+H-H2O]+ 94.040520 110.7
[M+HCOO]- 156.04146 141.2
[M+CH3COO]- 170.05711 166.9
[M+Na-2H]- 132.01793 125.4
[M]+ 111.04271 119.3
[M]- 111.04381 119.3
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