CID 62402024

1249227-50-6

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

CC(C)N1C=C(N=N1)CO

InChI

InChI=1S/C6H11N3O/c1-5(2)9-3-6(4-10)7-8-9/h3,5,10H,4H2,1-2H3

InChIKey

VWUSXTIUSAVEAQ-UHFFFAOYSA-N

Compound name

(1-propan-2-yltriazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 141.09021 Da
Monoisotopic Mass: -0.5
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]+	142.09749	129.5
[M+Na]+	164.07943	140.3
[M+NH4]+	159.12403	136.3
[M+K]+	180.05337	137.8
[M-H]-	140.08293	128.3
[M+Na-2H]-	162.06488	134.1
[M]+	141.08966	130.4
[M]-	141.09076	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe