CID 137964079

2225146-57-4

Structural Information

Molecular Formula
C11H16O4
SMILES
CC12CC(C1)(C3(O2)CCOCC3)C(=O)O
InChI
InChI=1S/C11H16O4/c1-9-6-10(7-9,8(12)13)11(15-9)2-4-14-5-3-11/h2-7H2,1H3,(H,12,13)
InChIKey
DOLSPQMXWFMXDP-UHFFFAOYSA-N
Compound name
1-methylspiro[2-oxabicyclo[2.1.1]hexane-3,4'-oxane]-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 146.4
[M+Na]+ 235.09408 151.5
[M-H]- 211.09758 150.1
[M+NH4]+ 230.13868 167.8
[M+K]+ 251.06802 154.0
[M+H-H2O]+ 195.10212 141.1
[M+HCOO]- 257.10306 158.1
[M+CH3COO]- 271.11871 158.2
[M+Na-2H]- 233.07953 155.0
[M]+ 212.10431 157.9
[M]- 212.10541 157.9
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.