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

1
Patents

168.08987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 134.8
[M+Na]+ 191.079088 142.3
[M-H]- 167.082594 135.5
[M+NH4]+ 186.123693 152.5
[M+K]+ 207.053028 141.9
[M+H-H2O]+ 151.087130 127.2
[M+HCOO]- 213.088071 156.5
[M+CH3COO]- 227.103721 178.6
[M+Na-2H]- 189.064536 142.4
[M]+ 168.08932142 137.6
[M]- 168.09041858 137.6
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

patents stripe