CID 4885555

832737-20-9

Structural Information

Molecular Formula

C₁₀H₁₄N₄O

SMILES

CC1=CC(=NC2=NC(=NN12)CCCO)C

InChI

InChI=1S/C10H14N4O/c1-7-6-8(2)14-10(11-7)12-9(13-14)4-3-5-15/h6,15H,3-5H2,1-2H3

InChIKey

HNSUEZTWRUXEHD-UHFFFAOYSA-N

Compound name

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 206.11676 Da
Monoisotopic Mass: 0.9
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]+	207.12404	146.4
[M+Na]+	229.10598	158.3
[M-H]-	205.10948	145.3
[M+NH4]+	224.15058	163.1
[M+K]+	245.07992	154.2
[M+H-H2O]+	189.11402	138.3
[M+HCOO]-	251.11496	166.1
[M+CH3COO]-	265.13061	185.5
[M+Na-2H]-	227.09143	152.6
[M]+	206.11621	150.5
[M]-	206.11731	150.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.