CID 121553638

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

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C=CCCN1C=C(N=N1)C(=O)O
InChI
InChI=1S/C7H9N3O2/c1-2-3-4-10-5-6(7(11)12)8-9-10/h2,5H,1,3-4H2,(H,11,12)
InChIKey
COECFTUPCXEQQH-UHFFFAOYSA-N
Compound name
1-but-3-enyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 135.9
[M+Na]+ 190.05869 146.1
[M+NH4]+ 185.10329 141.4
[M+K]+ 206.03263 143.7
[M-H]- 166.06219 133.6
[M+Na-2H]- 188.04414 139.4
[M]+ 167.06892 136.2
[M]- 167.07002 136.2
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.