CID 5384595

Amino(1-cycloocten-1-yl)acetic acid

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1CCC/C(=C\CC1)/C(C(=O)O)N

InChI

InChI=1S/C10H17NO2/c11-9(10(12)13)8-6-4-2-1-3-5-7-8/h6,9H,1-5,7,11H2,(H,12,13)/b8-6+

InChIKey

LRXGLWRNFLTEBN-SOFGYWHQSA-N

Compound name

2-amino-2-[(1E)-cycloocten-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 183.12593 Da
Monoisotopic Mass: -0.5
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	146.6
[M+Na]+	206.115148	150.1
[M-H]-	182.118654	147.4
[M+NH4]+	201.159753	154.9
[M+K]+	222.089088	150.5
[M+H-H2O]+	166.123190	143.2
[M+HCOO]-	228.124131	155.1
[M+CH3COO]-	242.139781	221.4
[M+Na-2H]-	204.100596	146.0
[M]+	183.12538142	143.8
[M]-	183.12647858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe