CID 86775463

4-(1,1-dimethoxyethyl)-2-methylpyrimidine

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC1=NC=CC(=N1)C(C)(OC)OC
InChI
InChI=1S/C9H14N2O2/c1-7-10-6-5-8(11-7)9(2,12-3)13-4/h5-6H,1-4H3
InChIKey
LDGABVYNRKKFFU-UHFFFAOYSA-N
Compound name
4-(1,1-dimethoxyethyl)-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 139.7
[M+Na]+ 205.094748 148.5
[M-H]- 181.098254 141.0
[M+NH4]+ 200.139353 157.4
[M+K]+ 221.068688 147.8
[M+H-H2O]+ 165.102790 132.8
[M+HCOO]- 227.103731 160.6
[M+CH3COO]- 241.119381 182.2
[M+Na-2H]- 203.080196 148.0
[M]+ 182.10498142 143.5
[M]- 182.10607858 143.5
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.