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

19
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

literature stripe

Patent stripe

patents stripe