CID 66214991

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

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1COCC1CN2C=C(N=N2)C=O
InChI
InChI=1S/C8H11N3O2/c12-5-8-4-11(10-9-8)3-7-1-2-13-6-7/h4-5,7H,1-3,6H2
InChIKey
OPDZBGGBQZXIER-UHFFFAOYSA-N
Compound name
1-(oxolan-3-ylmethyl)triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 136.8
[M+Na]+ 204.07435 144.8
[M-H]- 180.07785 140.0
[M+NH4]+ 199.11895 154.5
[M+K]+ 220.04829 144.7
[M+H-H2O]+ 164.08239 128.6
[M+HCOO]- 226.08333 157.5
[M+CH3COO]- 240.09898 177.6
[M+Na-2H]- 202.05980 140.4
[M]+ 181.08458 137.1
[M]- 181.08568 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.