CID 105427918

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

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1CC1N2C(=CN=N2)C=O
InChI
InChI=1S/C6H7N3O/c10-4-6-3-7-8-9(6)5-1-2-5/h3-5H,1-2H2
InChIKey
PBSKMEYYXQQTJW-UHFFFAOYSA-N
Compound name
3-cyclopropyltriazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.05891 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 131.1
[M+Na]+ 160.04813 144.5
[M+NH4]+ 155.09273 139.1
[M+K]+ 176.02207 141.9
[M-H]- 136.05163 138.6
[M+Na-2H]- 158.03358 139.9
[M]+ 137.05836 136.0
[M]- 137.05946 136.0
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

No patent data available for this compound.