CID 14756406

(2s,3r,11e)-2-aminotetradeca-11,13-dien-3-ol

Structural Information

Molecular Formula
C14H27NO
SMILES
C[C@@H]([C@@H](CCCCCCC/C=C/C=C)O)N
InChI
InChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3-5,13-14,16H,1,6-12,15H2,2H3/b5-4+/t13-,14+/m0/s1
InChIKey
PDPUNMLGRNINFK-OOPLNXAUSA-N
Compound name
(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

225.20926 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.21654 162.1
[M+Na]+ 248.19848 164.9
[M-H]- 224.20198 159.1
[M+NH4]+ 243.24308 179.1
[M+K]+ 264.17242 161.4
[M+H-H2O]+ 208.20652 156.2
[M+HCOO]- 270.20746 180.8
[M+CH3COO]- 284.22311 194.1
[M+Na-2H]- 246.18393 160.9
[M]+ 225.20871 161.2
[M]- 225.20981 161.2
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

patents stripe