CID 19745647

5-(benzyloxy)pyrimidine

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1=CC=C(C=C1)COC2=CN=CN=C2

InChI

InChI=1S/C11H10N2O/c1-2-4-10(5-3-1)8-14-11-6-12-9-13-7-11/h1-7,9H,8H2

InChIKey

RXQIMSBNQMJDDQ-UHFFFAOYSA-N

Compound name

5-phenylmethoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 186.07932 Da
Monoisotopic Mass: 1.7
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]+	187.086596	138.2
[M+Na]+	209.068538	146.2
[M-H]-	185.072044	142.0
[M+NH4]+	204.113143	154.8
[M+K]+	225.042478	143.0
[M+H-H2O]+	169.076580	129.4
[M+HCOO]-	231.077521	161.2
[M+CH3COO]-	245.093171	151.2
[M+Na-2H]-	207.053986	148.2
[M]+	186.07877142	138.6
[M]-	186.07986858	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe