CID 155859036

2580239-46-7

Structural Information

Molecular Formula
C11H18O4
SMILES
COC1(CC2(C1)CCOCC2)CC(=O)O
InChI
InChI=1S/C11H18O4/c1-14-11(6-9(12)13)7-10(8-11)2-4-15-5-3-10/h2-8H2,1H3,(H,12,13)
InChIKey
AAGZNXNXICWXLD-UHFFFAOYSA-N
Compound name
2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 144.5
[M+Na]+ 237.109728 148.1
[M-H]- 213.113234 148.8
[M+NH4]+ 232.154333 158.4
[M+K]+ 253.083668 151.6
[M+H-H2O]+ 197.117770 135.6
[M+HCOO]- 259.118711 159.9
[M+CH3COO]- 273.134361 185.2
[M+Na-2H]- 235.095176 150.6
[M]+ 214.11996142 151.3
[M]- 214.12105858 151.3
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.