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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.07167	134.5
[M+Na]+	194.05361	142.9
[M-H]-	170.05711	131.7
[M+NH4]+	189.09821	151.1
[M+K]+	210.02755	141.3
[M+H-H2O]+	154.06165	127.1
[M+HCOO]-	216.06259	153.6
[M+CH3COO]-	230.07824	172.7
[M+Na-2H]-	192.03906	138.8
[M]+	171.06384	135.0
[M]-	171.06494	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe