CID 112756264

2-(1-ethyl-1h-1,2,3-triazol-4-yl)propan-2-ol

Structural Information

Molecular Formula

C₇H₁₃N₃O

SMILES

CCN1C=C(N=N1)C(C)(C)O

InChI

InChI=1S/C7H13N3O/c1-4-10-5-6(8-9-10)7(2,3)11/h5,11H,4H2,1-3H3

InChIKey

JGAMQVOQQRMPCV-UHFFFAOYSA-N

Compound name

2-(1-ethyltriazol-4-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 155.10587 Da
Monoisotopic Mass: -0.3
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]+	156.113146	134.8
[M+Na]+	178.095088	144.0
[M-H]-	154.098594	133.5
[M+NH4]+	173.139693	153.4
[M+K]+	194.069028	142.6
[M+H-H2O]+	138.103130	128.1
[M+HCOO]-	200.104071	153.9
[M+CH3COO]-	214.119721	174.5
[M+Na-2H]-	176.080536	141.0
[M]+	155.10532142	135.7
[M]-	155.10641858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe