CID 14135316

127514-62-9

Structural Information

Molecular Formula
C18H27NO2
SMILES
C/C=C/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)(C)O
InChI
InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+
InChIKey
CRPPMKFSMRODIQ-FMBIJHKPSA-N
Compound name
(2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

289.2042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.211476 176.1
[M+Na]+ 312.193418 179.5
[M-H]- 288.196924 173.5
[M+NH4]+ 307.238023 191.0
[M+K]+ 328.167358 173.4
[M+H-H2O]+ 272.201460 170.4
[M+HCOO]- 334.202401 194.7
[M+CH3COO]- 348.218051 201.4
[M+Na-2H]- 310.178866 176.3
[M]+ 289.20365142 176.3
[M]- 289.20474858 176.3
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