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 143.5
[M+Na]+ 223.09408 147.8
[M-H]- 199.09758 148.1
[M+NH4]+ 218.13868 162.8
[M+K]+ 239.06802 148.9
[M+H-H2O]+ 183.10212 138.9
[M+HCOO]- 245.10306 159.3
[M+CH3COO]- 259.11871 177.5
[M+Na-2H]- 221.07953 148.3
[M]+ 200.10431 139.7
[M]- 200.10541 139.7
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.