CID 68805

Decominol

Structural Information

Molecular Formula
C13H29NO2
SMILES
CCCCCCCCCCOCC(CN)O
InChI
InChI=1S/C13H29NO2/c1-2-3-4-5-6-7-8-9-10-16-12-13(15)11-14/h13,15H,2-12,14H2,1H3
InChIKey
GZIZSEZACLNKGZ-UHFFFAOYSA-N
Compound name
1-amino-3-decoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

59
Patents

231.21983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.22711 162.3
[M+Na]+ 254.20905 165.0
[M-H]- 230.21255 159.2
[M+NH4]+ 249.25365 179.0
[M+K]+ 270.18299 163.0
[M+H-H2O]+ 214.21709 156.0
[M+HCOO]- 276.21803 182.1
[M+CH3COO]- 290.23368 194.6
[M+Na-2H]- 252.19450 162.9
[M]+ 231.21928 164.6
[M]- 231.22038 164.6
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.