CID 44454582

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

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C=CCN1C=C(N=N1)C(=O)O
InChI
InChI=1S/C6H7N3O2/c1-2-3-9-4-5(6(10)11)7-8-9/h2,4H,1,3H2,(H,10,11)
InChIKey
QACGJWPGZYTCSY-UHFFFAOYSA-N
Compound name
1-prop-2-enyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

153.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 130.0
[M+Na]+ 176.043048 139.3
[M-H]- 152.046554 128.6
[M+NH4]+ 171.087653 148.1
[M+K]+ 192.016988 137.5
[M+H-H2O]+ 136.051090 122.7
[M+HCOO]- 198.052031 150.6
[M+CH3COO]- 212.067681 172.2
[M+Na-2H]- 174.028496 134.8
[M]+ 153.05328142 130.3
[M]- 153.05437858 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.