CID 44141733

54535-00-1

Structural Information

Molecular Formula

C₈H₁₀N₄O

SMILES

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

InChI

InChI=1S/C8H10N4O/c1-5-3-6(2)12-8(9-5)10-7(4-13)11-12/h3,13H,4H2,1-2H3

InChIKey

SHYHYVCNCNAWHV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 178.08546 Da
Monoisotopic Mass: 0.0
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]+	179.09274	137.3
[M+Na]+	201.07468	150.1
[M-H]-	177.07818	136.6
[M+NH4]+	196.11928	155.1
[M+K]+	217.04862	146.5
[M+H-H2O]+	161.08272	129.6
[M+HCOO]-	223.08366	157.7
[M+CH3COO]-	237.09931	150.8
[M+Na-2H]-	199.06013	144.6
[M]+	178.08491	140.7
[M]-	178.08601	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe