CID 66214969

1-[(oxolan-2-yl)methyl]-1h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1CC(OC1)CN2C=C(N=N2)C=O
InChI
InChI=1S/C8H11N3O2/c12-6-7-4-11(10-9-7)5-8-2-1-3-13-8/h4,6,8H,1-3,5H2
InChIKey
RYDQBFKCXIUUJP-UHFFFAOYSA-N
Compound name
1-(oxolan-2-ylmethyl)triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 136.8
[M+Na]+ 204.074348 144.8
[M-H]- 180.077854 140.0
[M+NH4]+ 199.118953 154.5
[M+K]+ 220.048288 144.7
[M+H-H2O]+ 164.082390 128.6
[M+HCOO]- 226.083331 157.5
[M+CH3COO]- 240.098981 177.6
[M+Na-2H]- 202.059796 140.4
[M]+ 181.08458142 137.1
[M]- 181.08567858 137.1
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.