CID 136574193

2174001-35-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1CC2(CC1C2C(=O)O)C3=CN=CO3

InChI

InChI=1S/C10H11NO3/c12-9(13)8-6-1-2-10(8,3-6)7-4-11-5-14-7/h4-6,8H,1-3H2,(H,12,13)

InChIKey

BGFPYORHQKTTDQ-UHFFFAOYSA-N

Compound name

1-(1,3-oxazol-5-yl)bicyclo[2.1.1]hexane-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.0739 Da
Monoisotopic Mass: 1.0
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]+	194.081176	140.1
[M+Na]+	216.063118	146.4
[M-H]-	192.066624	143.3
[M+NH4]+	211.107723	160.4
[M+K]+	232.037058	148.6
[M+H-H2O]+	176.071160	133.8
[M+HCOO]-	238.072101	156.7
[M+CH3COO]-	252.087751	152.8
[M+Na-2H]-	214.048566	145.7
[M]+	193.07335142	153.7
[M]-	193.07444858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.