CID 155973583

2648956-73-2

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

C1C2CC1(OCC2N)C(=O)O

InChI

InChI=1S/C7H11NO3/c8-5-3-11-7(6(9)10)1-4(5)2-7/h4-5H,1-3,8H2,(H,9,10)

InChIKey

OSJXVCZDOUIGLI-UHFFFAOYSA-N

Compound name

4-amino-2-oxabicyclo[3.1.1]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.0739 Da
Monoisotopic Mass: -3.1
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	139.9
[M+Na]+	180.063118	144.3
[M-H]-	156.066624	138.1
[M+NH4]+	175.107723	157.7
[M+K]+	196.037058	147.6
[M+H-H2O]+	140.071160	131.7
[M+HCOO]-	202.072101	151.6
[M+CH3COO]-	216.087751	182.7
[M+Na-2H]-	178.048566	150.2
[M]+	157.07335142	149.3
[M]-	157.07444858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.