CID 54595192

Diethyl-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CCC1=C(N=NN1CC)C(=O)O
InChI
InChI=1S/C7H11N3O2/c1-3-5-6(7(11)12)8-9-10(5)4-2/h3-4H2,1-2H3,(H,11,12)
InChIKey
DJYNHENSHQXWEC-UHFFFAOYSA-N
Compound name
1,5-diethyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 135.4
[M+Na]+ 192.07435 145.0
[M-H]- 168.07785 134.2
[M+NH4]+ 187.11895 153.3
[M+K]+ 208.04829 143.5
[M+H-H2O]+ 152.08239 128.2
[M+HCOO]- 214.08333 155.5
[M+CH3COO]- 228.09898 177.3
[M+Na-2H]- 190.05980 139.0
[M]+ 169.08458 137.2
[M]- 169.08568 137.2
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.