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]+ 271.154006 159.8
[M+Na]+ 293.135948 162.7
[M-H]- 269.139454 164.1
[M+NH4]+ 288.180553 171.5
[M+K]+ 309.109888 166.2
[M+H-H2O]+ 253.143990 151.4
[M+HCOO]- 315.144931 174.0
[M+CH3COO]- 329.160581 196.2
[M+Na-2H]- 291.121396 161.5
[M]+ 270.14618142 169.0
[M]- 270.14727858 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.