CID 2998991

90152-88-8

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

C1CCC(=NCC1)NCC(=O)O

InChI

InChI=1S/C8H14N2O2/c11-8(12)6-10-7-4-2-1-3-5-9-7/h1-6H2,(H,9,10)(H,11,12)

InChIKey

ZZKQYXZXRHAHKH-UHFFFAOYSA-N

Compound name

2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 170.10553 Da
Monoisotopic Mass: -0.2
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]+	171.11281	134.0
[M+Na]+	193.09475	141.1
[M+NH4]+	188.13935	140.2
[M+K]+	209.06869	138.4
[M-H]-	169.09825	134.1
[M+Na-2H]-	191.08020	138.5
[M]+	170.10498	134.7
[M]-	170.10608	134.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.