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]+ 154.06111 130.0
[M+Na]+ 176.04305 139.3
[M-H]- 152.04655 128.6
[M+NH4]+ 171.08765 148.1
[M+K]+ 192.01699 137.5
[M+H-H2O]+ 136.05109 122.7
[M+HCOO]- 198.05203 150.6
[M+CH3COO]- 212.06768 172.2
[M+Na-2H]- 174.02850 134.8
[M]+ 153.05328 130.3
[M]- 153.05438 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.