CID 363028

Nsc627572

Structural Information

Molecular Formula
C9H12O5
SMILES
CC(=O)C1(C(C(=O)O1)(C)OC(=O)C)C
InChI
InChI=1S/C9H12O5/c1-5(10)8(3)9(4,7(12)14-8)13-6(2)11/h1-4H3
InChIKey
GOCMNXHGCGAVET-UHFFFAOYSA-N
Compound name
(2-acetyl-2,3-dimethyl-4-oxooxetan-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06847 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07575 136.3
[M+Na]+ 223.05769 143.8
[M-H]- 199.06119 141.4
[M+NH4]+ 218.10229 151.8
[M+K]+ 239.03163 148.8
[M+H-H2O]+ 183.06573 129.3
[M+HCOO]- 245.06667 156.1
[M+CH3COO]- 259.08232 187.7
[M+Na-2H]- 221.04314 141.8
[M]+ 200.06792 150.2
[M]- 200.06902 150.2
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.