CID 122164445

Sodium 5-(methoxymethyl)-1h-1,2,4-triazole-3-carboxylate

Structural Information

Molecular Formula
C5H7N3O3
SMILES
COCC1=NC(=NN1)C(=O)O
InChI
InChI=1S/C5H7N3O3/c1-11-2-3-6-4(5(9)10)8-7-3/h2H2,1H3,(H,9,10)(H,6,7,8)
InChIKey
UKFRSTZTJSJXQF-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1H-1,2,4-triazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.04874 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.056016 130.0
[M+Na]+ 180.037958 138.9
[M-H]- 156.041464 127.4
[M+NH4]+ 175.082563 147.2
[M+K]+ 196.011898 137.5
[M+H-H2O]+ 140.046000 122.8
[M+HCOO]- 202.046941 149.4
[M+CH3COO]- 216.062591 169.7
[M+Na-2H]- 178.023406 134.8
[M]+ 157.04819142 130.2
[M]- 157.04928858 130.2
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.