CID 15609887

113836-87-6

Structural Information

Molecular Formula
C16H23NO
SMILES
C/C=C/C#CCC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C16H23NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-5,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4+,11-10+,13-12+
InChIKey
NFFPFDVUIWBNTI-NOPLWHKLSA-N
Compound name
(2E,4E,10E)-N-(2-methylpropyl)dodeca-2,4,10-trien-8-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

245.17796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.185236 164.4
[M+Na]+ 268.167178 170.5
[M-H]- 244.170684 163.0
[M+NH4]+ 263.211783 179.8
[M+K]+ 284.141118 165.7
[M+H-H2O]+ 228.175220 152.5
[M+HCOO]- 290.176161 179.7
[M+CH3COO]- 304.191811 203.1
[M+Na-2H]- 266.152626 163.5
[M]+ 245.17741142 159.5
[M]- 245.17850858 159.5
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