CID 132354131

2138521-86-3

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

CCOC(=O)C1CC12CC(C2)C(=O)O

InChI

InChI=1S/C10H14O4/c1-2-14-9(13)7-5-10(7)3-6(4-10)8(11)12/h6-7H,2-5H2,1H3,(H,11,12)

InChIKey

AKHUJHGPWNAGMI-UHFFFAOYSA-N

Compound name

2-ethoxycarbonylspiro[2.3]hexane-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.0892 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]+	199.096476	142.8
[M+Na]+	221.078418	150.0
[M-H]-	197.081924	148.2
[M+NH4]+	216.123023	152.7
[M+K]+	237.052358	151.4
[M+H-H2O]+	181.086460	133.9
[M+HCOO]-	243.087401	161.1
[M+CH3COO]-	257.103051	187.9
[M+Na-2H]-	219.063866	146.1
[M]+	198.08865142	154.6
[M]-	198.08974858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe