CID 155859058

2580237-52-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

C1CC2(CC(C2)C(=O)O)COC1CN

InChI

InChI=1S/C10H17NO3/c11-5-8-1-2-10(6-14-8)3-7(4-10)9(12)13/h7-8H,1-6,11H2,(H,12,13)

InChIKey

FFQPECGBRCXGIZ-UHFFFAOYSA-N

Compound name

7-(aminomethyl)-6-oxaspiro[3.5]nonane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.12085 Da
Monoisotopic Mass: -2.5
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]+	200.128126	142.6
[M+Na]+	222.110068	145.6
[M-H]-	198.113574	146.2
[M+NH4]+	217.154673	154.7
[M+K]+	238.084008	148.4
[M+H-H2O]+	182.118110	132.2
[M+HCOO]-	244.119051	158.3
[M+CH3COO]-	258.134701	185.9
[M+Na-2H]-	220.095516	146.4
[M]+	199.12030142	145.8
[M]-	199.12139858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.