CID 71758155

Tert-butyl 2-(3,4-dihydro-2h-pyran-5-yl)-2-oxoacetate

Structural Information

Molecular Formula
C11H16O4
SMILES
CC(C)(C)OC(=O)C(=O)C1=COCCC1
InChI
InChI=1S/C11H16O4/c1-11(2,3)15-10(13)9(12)8-5-4-6-14-7-8/h7H,4-6H2,1-3H3
InChIKey
RBWBPKBUDROUOP-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3,4-dihydro-2H-pyran-5-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.112136 145.6
[M+Na]+ 235.094078 150.8
[M-H]- 211.097584 149.4
[M+NH4]+ 230.138683 162.9
[M+K]+ 251.068018 152.1
[M+H-H2O]+ 195.102120 140.2
[M+HCOO]- 257.103061 163.7
[M+CH3COO]- 271.118711 185.2
[M+Na-2H]- 233.079526 150.5
[M]+ 212.10431142 146.7
[M]- 212.10540858 146.7
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.