CID 42608342

24558-60-9

Structural Information

Molecular Formula
C14H29NO2
SMILES
CCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/b11-10+/t13-,14+/m0/s1
InChIKey
VDRZDTXJMRRVMF-NXFSIWHZSA-N
Compound name
(E,2S,3R)-2-aminotetradec-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

243.21983 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.22711 166.8
[M+Na]+ 266.20905 168.8
[M-H]- 242.21255 162.3
[M+NH4]+ 261.25365 182.3
[M+K]+ 282.18299 165.6
[M+H-H2O]+ 226.21709 160.7
[M+HCOO]- 288.21803 184.0
[M+CH3COO]- 302.23368 194.4
[M+Na-2H]- 264.19450 165.0
[M]+ 243.21928 166.1
[M]- 243.22038 166.1
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