CID 155820324

2567504-37-2

Structural Information

Molecular Formula
C14H22O5
SMILES
CC(C)(C)OC(=O)C1CC2(C1)CCC(O2)CC(=O)O
InChI
InChI=1S/C14H22O5/c1-13(2,3)19-12(17)9-7-14(8-9)5-4-10(18-14)6-11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKey
BEJHZPLGWXELBL-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxaspiro[3.4]octan-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14673 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15401 159.8
[M+Na]+ 293.13595 162.7
[M-H]- 269.13945 164.1
[M+NH4]+ 288.18055 171.5
[M+K]+ 309.10989 166.2
[M+H-H2O]+ 253.14399 151.4
[M+HCOO]- 315.14493 174.0
[M+CH3COO]- 329.16058 196.2
[M+Na-2H]- 291.12140 161.5
[M]+ 270.14618 169.0
[M]- 270.14728 169.0
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.