CID 73425099

1522098-73-2

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

C1C2(CC1(NC2)C(=O)O)CO

InChI

InChI=1S/C7H11NO3/c9-4-6-1-7(2-6,5(10)11)8-3-6/h8-9H,1-4H2,(H,10,11)

InChIKey

LHBAUHDTJMHXLC-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 157.0739 Da
Monoisotopic Mass: -3.3
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	144.8
[M+Na]+	180.063118	150.7
[M-H]-	156.066624	141.1
[M+NH4]+	175.107723	166.4
[M+K]+	196.037058	150.6
[M+H-H2O]+	140.071160	138.9
[M+HCOO]-	202.072101	157.6
[M+CH3COO]-	216.087751	173.2
[M+Na-2H]-	178.048566	151.8
[M]+	157.07335142	154.7
[M]-	157.07444858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe