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
4
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]+ 232.227106 162.3
[M+Na]+ 254.209048 165.0
[M-H]- 230.212554 159.2
[M+NH4]+ 249.253653 179.0
[M+K]+ 270.182988 163.0
[M+H-H2O]+ 214.217090 156.0
[M+HCOO]- 276.218031 182.1
[M+CH3COO]- 290.233681 194.6
[M+Na-2H]- 252.194496 162.9
[M]+ 231.21928142 164.6
[M]- 231.22037858 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

literature stripe

Patent stripe

patents stripe