CID 115021681

2408965-30-8

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

COC(=O)C1(CC2(C1)CCOCC2)N

InChI

InChI=1S/C10H17NO3/c1-13-8(12)10(11)6-9(7-10)2-4-14-5-3-9/h2-7,11H2,1H3

InChIKey

CAMFBNHHXNUIBN-UHFFFAOYSA-N

Compound name

methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.12085 Da
Monoisotopic Mass: 0.0
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	146.2
[M-H]-	198.113574	147.8
[M+NH4]+	217.154673	157.3
[M+K]+	238.084008	150.0
[M+H-H2O]+	182.118110	133.1
[M+HCOO]-	244.119051	159.9
[M+CH3COO]-	258.134701	186.3
[M+Na-2H]-	220.095516	148.7
[M]+	199.12030142	147.6
[M]-	199.12139858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.