CID 166405851

2003526-51-8

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

C=CC(=O)N1CCC2(CC1)CC2C(=O)O

InChI

InChI=1S/C11H15NO3/c1-2-9(13)12-5-3-11(4-6-12)7-8(11)10(14)15/h2,8H,1,3-7H2,(H,14,15)

InChIKey

YMDDLTYYBUUFPY-UHFFFAOYSA-N

Compound name

6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.1052 Da
Monoisotopic Mass: 0.6
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]+	210.112476	150.6
[M+Na]+	232.094418	158.4
[M-H]-	208.097924	154.1
[M+NH4]+	227.139023	164.7
[M+K]+	248.068358	155.5
[M+H-H2O]+	192.102460	145.1
[M+HCOO]-	254.103401	166.6
[M+CH3COO]-	268.119051	185.9
[M+Na-2H]-	230.079866	153.2
[M]+	209.10465142	149.5
[M]-	209.10574858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.