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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 157.5
[M+Na]+ 247.141698 161.0
[M-H]- 223.145204 158.1
[M+NH4]+ 242.186303 175.6
[M+K]+ 263.115638 160.7
[M+H-H2O]+ 207.149740 150.7
[M+HCOO]- 269.150681 181.7
[M+CH3COO]- 283.166331 200.7
[M+Na-2H]- 245.127146 159.8
[M]+ 224.15193142 161.4
[M]- 224.15302858 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.