CID 14756407

Xestoaminol c

Structural Information

Molecular Formula
C14H31NO
SMILES
CCCCCCCCCCC[C@H]([C@H](C)N)O
InChI
InChI=1S/C14H31NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h13-14,16H,3-12,15H2,1-2H3/t13-,14+/m0/s1
InChIKey
WMUMHAZHWIUBPN-UONOGXRCSA-N
Compound name
(2S,3R)-2-aminotetradecan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

16
Patents

229.24057 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.24785 165.0
[M+Na]+ 252.22979 167.1
[M-H]- 228.23329 161.9
[M+NH4]+ 247.27439 181.9
[M+K]+ 268.20373 164.9
[M+H-H2O]+ 212.23783 158.9
[M+HCOO]- 274.23877 183.2
[M+CH3COO]- 288.25442 196.5
[M+Na-2H]- 250.21524 163.7
[M]+ 229.24002 165.6
[M]- 229.24112 165.6
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.