CID 132915996

2680528-26-9

Structural Information

Molecular Formula

SMILES

C1C2CNC1(CO2)C(=O)O

InChI

InChI=1S/C6H9NO3/c8-5(9)6-1-4(2-7-6)10-3-6/h4,7H,1-3H2,(H,8,9)

InChIKey

XXICKUGVTMTDJV-UHFFFAOYSA-N

Compound name

2-oxa-5-azabicyclo[2.2.1]heptane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.05824 Da
Monoisotopic Mass: -3.2
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]+	144.065516	128.2
[M+Na]+	166.047458	135.4
[M-H]-	142.050964	127.7
[M+NH4]+	161.092063	152.3
[M+K]+	182.021398	134.9
[M+H-H2O]+	126.055500	124.6
[M+HCOO]-	188.056441	145.0
[M+CH3COO]-	202.072091	165.6
[M+Na-2H]-	164.032906	134.1
[M]+	143.05769142	125.7
[M]-	143.05878858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.