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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.101576	148.4
[M+Na]+	205.083518	153.0
[M-H]-	181.087024	152.6
[M+NH4]+	200.128123	164.7
[M+K]+	221.057458	156.2
[M+H-H2O]+	165.091560	140.9
[M+HCOO]-	227.092501	161.2
[M+CH3COO]-	241.108151	192.0
[M+Na-2H]-	203.068966	155.3
[M]+	182.09375142	168.0
[M]-	182.09484858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.