CID 125464139

1911650-68-4

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₃

SMILES

CC(C)(C)OC(=O)COC1=CN=C(N=C1)Cl

InChI

InChI=1S/C10H13ClN2O3/c1-10(2,3)16-8(14)6-15-7-4-12-9(11)13-5-7/h4-5H,6H2,1-3H3

InChIKey

IJTPYKRLQSNGKV-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-chloropyrimidin-5-yl)oxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 244.06146 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.06874	150.8
[M+Na]+	267.05068	159.9
[M-H]-	243.05418	151.9
[M+NH4]+	262.09528	166.7
[M+K]+	283.02462	157.5
[M+H-H2O]+	227.05872	144.2
[M+HCOO]-	289.05966	166.1
[M+CH3COO]-	303.07531	189.7
[M+Na-2H]-	265.03613	157.1
[M]+	244.06091	156.7
[M]-	244.06201	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe