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

47
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

literature stripe

Patent stripe

patents stripe