CID 5316694

Dihydrobungeanool

Structural Information

Molecular Formula
C18H31NO2
SMILES
CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O
InChI
InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+
InChIKey
OMYRBCZBTQDJHF-RFYAXJIXSA-N
Compound name
(2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

293.23547 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 179.0
[M+Na]+ 316.22469 181.6
[M-H]- 292.22819 176.2
[M+NH4]+ 311.26929 193.7
[M+K]+ 332.19863 176.7
[M+H-H2O]+ 276.23273 173.0
[M+HCOO]- 338.23367 197.2
[M+CH3COO]- 352.24932 204.5
[M+Na-2H]- 314.21014 179.0
[M]+ 293.23492 180.7
[M]- 293.23602 180.7
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.