CID 58120769

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

Structural Information

Molecular Formula
C4H5N3O
SMILES
CC1=NNN=C1C=O
InChI
InChI=1S/C4H5N3O/c1-3-4(2-8)6-7-5-3/h2H,1H3,(H,5,6,7)
InChIKey
JFSBTWPIEZSDPR-UHFFFAOYSA-N
Compound name
5-methyl-2H-triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

111.04326 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05054 120.1
[M+Na]+ 134.03248 131.7
[M+NH4]+ 129.07708 127.0
[M+K]+ 150.00642 128.7
[M-H]- 110.03598 118.8
[M+Na-2H]- 132.01793 125.4
[M]+ 111.04271 121.0
[M]- 111.04381 121.0
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