CID 155821798

2490413-04-0

Structural Information

Molecular Formula
C10H13ClN2O3
SMILES
CC(C)(C)OC(=O)CN1C=NC(=CC1=O)Cl
InChI
InChI=1S/C10H13ClN2O3/c1-10(2,3)16-9(15)5-13-6-12-7(11)4-8(13)14/h4,6H,5H2,1-3H3
InChIKey
LPTCGWKUKVIGDM-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-chloro-6-oxopyrimidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.06146 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06874 150.8
[M+Na]+ 267.05068 163.6
[M+NH4]+ 262.09528 156.8
[M+K]+ 283.02462 158.8
[M-H]- 243.05418 149.7
[M+Na-2H]- 265.03613 156.0
[M]+ 244.06091 152.5
[M]- 244.06201 152.5
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.