CID 130609838

2138527-17-8

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC(C1CC2CCC1C2)(C(=O)O)N

InChI

InChI=1S/C10H17NO2/c1-10(11,9(12)13)8-5-6-2-3-7(8)4-6/h6-8H,2-5,11H2,1H3,(H,12,13)

InChIKey

RBSMHWGJMWIJEK-UHFFFAOYSA-N

Compound name

2-amino-2-(2-bicyclo[2.2.1]heptanyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 Da
Monoisotopic Mass: -0.9
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]+	184.133206	143.9
[M+Na]+	206.115148	149.2
[M-H]-	182.118654	144.6
[M+NH4]+	201.159753	167.5
[M+K]+	222.089088	147.3
[M+H-H2O]+	166.123190	140.3
[M+HCOO]-	228.124131	161.6
[M+CH3COO]-	242.139781	181.6
[M+Na-2H]-	204.100596	146.0
[M]+	183.12538142	139.8
[M]-	183.12647858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.