CID 121552357

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

Structural Information

Molecular Formula
C6H9N3O
SMILES
CCN1N=C(C(=N1)C=O)C
InChI
InChI=1S/C6H9N3O/c1-3-9-7-5(2)6(4-10)8-9/h4H,3H2,1-2H3
InChIKey
FSOMDUWOVKREMM-UHFFFAOYSA-N
Compound name
2-ethyl-5-methyltriazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.7
[M+Na]+ 162.06377 137.6
[M-H]- 138.06727 127.0
[M+NH4]+ 157.10837 146.7
[M+K]+ 178.03771 136.3
[M+H-H2O]+ 122.07181 119.6
[M+HCOO]- 184.07275 149.4
[M+CH3COO]- 198.08840 174.1
[M+Na-2H]- 160.04922 132.5
[M]+ 139.07400 129.3
[M]- 139.07510 129.3
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

No patent data available for this compound.