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]+ 213.11214 145.6
[M+Na]+ 235.09408 150.8
[M-H]- 211.09758 149.4
[M+NH4]+ 230.13868 162.9
[M+K]+ 251.06802 152.1
[M+H-H2O]+ 195.10212 140.2
[M+HCOO]- 257.10306 163.7
[M+CH3COO]- 271.11871 185.2
[M+Na-2H]- 233.07953 150.5
[M]+ 212.10431 146.7
[M]- 212.10541 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.