CID 122163253

2-(2,2-dimethoxyethyl)pyrimidine

Structural Information

Molecular Formula
C8H12N2O2
SMILES
COC(CC1=NC=CC=N1)OC
InChI
InChI=1S/C8H12N2O2/c1-11-8(12-2)6-7-9-4-3-5-10-7/h3-5,8H,6H2,1-2H3
InChIKey
PGJYMOIAUNCFSF-UHFFFAOYSA-N
Compound name
2-(2,2-dimethoxyethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.0
[M+Na]+ 191.07909 147.4
[M+NH4]+ 186.12369 142.4
[M+K]+ 207.05303 141.9
[M-H]- 167.08259 135.5
[M+Na-2H]- 189.06454 141.8
[M]+ 168.08932 136.7
[M]- 168.09042 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.