CID 138987430

2285078-80-8

Structural Information

Molecular Formula
C10H16O4
SMILES
C1COCCC12CC(OC2)CC(=O)O
InChI
InChI=1S/C10H16O4/c11-9(12)5-8-6-10(7-14-8)1-3-13-4-2-10/h8H,1-7H2,(H,11,12)
InChIKey
VCGFVLLIKRSQOK-UHFFFAOYSA-N
Compound name
2-(2,8-dioxaspiro[4.5]decan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 144.5
[M+Na]+ 223.09408 152.7
[M+NH4]+ 218.13868 153.5
[M+K]+ 239.06802 149.1
[M-H]- 199.09758 147.8
[M+Na-2H]- 221.07953 147.8
[M]+ 200.10431 146.4
[M]- 200.10541 146.4
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.