CID 15270595

Ethyl 1-methyl-1h-1,2,3-triazole-5-carboxylate

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

CCOC(=O)C1=CN=NN1C

InChI

InChI=1S/C6H9N3O2/c1-3-11-6(10)5-4-7-8-9(5)2/h4H,3H2,1-2H3

InChIKey

XVLAXQMABKBMLF-UHFFFAOYSA-N

Compound name

ethyl 3-methyltriazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 155.06947 Da
Monoisotopic Mass: 0.2
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]+	156.07675	130.3
[M+Na]+	178.05869	140.0
[M-H]-	154.06219	130.4
[M+NH4]+	173.10329	149.3
[M+K]+	194.03263	139.7
[M+H-H2O]+	138.06673	122.8
[M+HCOO]-	200.06767	152.3
[M+CH3COO]-	214.08332	175.1
[M+Na-2H]-	176.04414	135.7
[M]+	155.06892	133.2
[M]-	155.07002	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe