CID 155487338

2137470-25-6

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

C1C(NCC12COC2)C(=O)O

InChI

InChI=1S/C7H11NO3/c9-6(10)5-1-7(2-8-5)3-11-4-7/h5,8H,1-4H2,(H,9,10)

InChIKey

MAODLKUUVGCQCO-UHFFFAOYSA-N

Compound name

2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 157.0739 Da
Monoisotopic Mass: -3.0
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]+	158.081176	128.6
[M+Na]+	180.063118	133.2
[M-H]-	156.066624	130.6
[M+NH4]+	175.107723	142.6
[M+K]+	196.037058	135.7
[M+H-H2O]+	140.071160	119.2
[M+HCOO]-	202.072101	144.4
[M+CH3COO]-	216.087751	171.5
[M+Na-2H]-	178.048566	133.6
[M]+	157.07335142	132.8
[M]-	157.07444858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe