CID 81724795

1505871-96-4

Structural Information

Molecular Formula

C₈H₁₁ClN₂O

SMILES

CC(C)C1=C(C(=NC=N1)Cl)OC

InChI

InChI=1S/C8H11ClN2O/c1-5(2)6-7(12-3)8(9)11-4-10-6/h4-5H,1-3H3

InChIKey

MMWXHDLIFQPLKP-UHFFFAOYSA-N

Compound name

4-chloro-5-methoxy-6-propan-2-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.05598 Da
Monoisotopic Mass: 2.3
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]+	187.063256	135.8
[M+Na]+	209.045198	146.0
[M-H]-	185.048704	137.1
[M+NH4]+	204.089803	154.3
[M+K]+	225.019138	143.2
[M+H-H2O]+	169.053240	129.5
[M+HCOO]-	231.054181	152.7
[M+CH3COO]-	245.069831	182.7
[M+Na-2H]-	207.030646	141.6
[M]+	186.05543142	139.8
[M]-	186.05652858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.