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]+ 215.12779 144.5
[M+Na]+ 237.10973 148.1
[M-H]- 213.11323 148.8
[M+NH4]+ 232.15433 158.4
[M+K]+ 253.08367 151.6
[M+H-H2O]+ 197.11777 135.6
[M+HCOO]- 259.11871 159.9
[M+CH3COO]- 273.13436 185.2
[M+Na-2H]- 235.09518 150.6
[M]+ 214.11996 151.3
[M]- 214.12106 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.