CID 77134633

66621-75-8

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=NC(=NC=C1)CC(=O)OC
InChI
InChI=1S/C8H10N2O2/c1-6-3-4-9-7(10-6)5-8(11)12-2/h3-4H,5H2,1-2H3
InChIKey
HDGASKZYPAQNTF-UHFFFAOYSA-N
Compound name
methyl 2-(4-methylpyrimidin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.3
[M+Na]+ 189.06345 142.2
[M-H]- 165.06695 134.6
[M+NH4]+ 184.10805 151.5
[M+K]+ 205.03739 141.2
[M+H-H2O]+ 149.07149 126.1
[M+HCOO]- 211.07243 155.3
[M+CH3COO]- 225.08808 178.1
[M+Na-2H]- 187.04890 140.3
[M]+ 166.07368 135.8
[M]- 166.07478 135.8
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.