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]+ 183.11281 139.7
[M+Na]+ 205.09475 148.5
[M-H]- 181.09825 141.0
[M+NH4]+ 200.13935 157.4
[M+K]+ 221.06869 147.8
[M+H-H2O]+ 165.10279 132.8
[M+HCOO]- 227.10373 160.6
[M+CH3COO]- 241.11938 182.2
[M+Na-2H]- 203.08020 148.0
[M]+ 182.10498 143.5
[M]- 182.10608 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.