CID 36070

Nylon-66

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂

SMILES

[CH]CCCCCNC(=O)CCCCC(=O)[N]

InChI

InChI=1S/C12H20N2O2/c1-2-3-4-7-10-14-12(16)9-6-5-8-11(13)15/h1H,2-10H2,(H,14,16)

InChIKey

LOCYSVHOSYQGOV-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 224.15248 Da
Monoisotopic Mass: 1.4
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]+	225.15976	157.5
[M+Na]+	247.14170	161.0
[M-H]-	223.14520	158.1
[M+NH4]+	242.18630	175.6
[M+K]+	263.11564	160.7
[M+H-H2O]+	207.14974	150.7
[M+HCOO]-	269.15068	181.7
[M+CH3COO]-	283.16633	200.7
[M+Na-2H]-	245.12715	159.8
[M]+	224.15193	161.4
[M]-	224.15303	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.