CID 98784

698-28-2

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC1=NC(=NC=C1CO)C

InChI

InChI=1S/C7H10N2O/c1-5-7(4-10)3-8-6(2)9-5/h3,10H,4H2,1-2H3

InChIKey

CLKRHIBHXHFDSI-UHFFFAOYSA-N

Compound name

(2,4-dimethylpyrimidin-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 124
Patents: 138.07932 Da
Monoisotopic Mass: 0.1
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]+	139.086596	127.3
[M+Na]+	161.068538	137.1
[M-H]-	137.072044	127.5
[M+NH4]+	156.113143	146.3
[M+K]+	177.042478	135.1
[M+H-H2O]+	121.076580	120.9
[M+HCOO]-	183.077521	148.6
[M+CH3COO]-	197.093171	172.3
[M+Na-2H]-	159.053986	134.7
[M]+	138.07877142	127.8
[M]-	138.07986858	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe