CID 63937309

1-(oxan-4-yl)-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H11N3O3
SMILES
C1COCCC1N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C8H11N3O3/c12-8(13)7-5-11(10-9-7)6-1-3-14-4-2-6/h5-6H,1-4H2,(H,12,13)
InChIKey
MPYZRKCEEZCDNY-UHFFFAOYSA-N
Compound name
1-(oxan-4-yl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.08005 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 142.0
[M+Na]+ 220.06927 152.1
[M+NH4]+ 215.11387 148.0
[M+K]+ 236.04321 150.7
[M-H]- 196.07277 143.0
[M+Na-2H]- 218.05472 146.0
[M]+ 197.07950 143.3
[M]- 197.08060 143.3
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

patents stripe