CID 80703719

1541353-26-7

Structural Information

Molecular Formula
C6H9N3O3
SMILES
C1=C(N=NN1CC(=O)O)CCO
InChI
InChI=1S/C6H9N3O3/c10-2-1-5-3-9(8-7-5)4-6(11)12/h3,10H,1-2,4H2,(H,11,12)
InChIKey
RICJSEVVSNBROD-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxyethyl)triazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.06439 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.071666 134.5
[M+Na]+ 194.053608 142.9
[M-H]- 170.057114 131.7
[M+NH4]+ 189.098213 151.1
[M+K]+ 210.027548 141.3
[M+H-H2O]+ 154.061650 127.1
[M+HCOO]- 216.062591 153.6
[M+CH3COO]- 230.078241 172.7
[M+Na-2H]- 192.039056 138.8
[M]+ 171.06384142 135.0
[M]- 171.06493858 135.0
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

patents stripe