CID 137964078

2490400-65-0

Structural Information

Molecular Formula
C10H14O3
SMILES
CC12CC(C1)(C3(O2)CCC3)C(=O)O
InChI
InChI=1S/C10H14O3/c1-8-5-9(6-8,7(11)12)10(13-8)3-2-4-10/h2-6H2,1H3,(H,11,12)
InChIKey
FZTOFJPDGBUGHQ-UHFFFAOYSA-N
Compound name
1-methylspiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 140.7
[M+Na]+ 205.08352 139.1
[M+NH4]+ 200.12812 145.5
[M+K]+ 221.05746 137.6
[M-H]- 181.08702 135.1
[M+Na-2H]- 203.06897 138.0
[M]+ 182.09375 137.0
[M]- 182.09485 137.0
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.