CID 118701780

Dinor-10-no2-cla

Structural Information

Molecular Formula
C16H27NO4
SMILES
CCCCCC/C(=C\C=C\CCCCCC(=O)O)/[N+](=O)[O-]
InChI
InChI=1S/C16H27NO4/c1-2-3-4-9-12-15(17(20)21)13-10-7-5-6-8-11-14-16(18)19/h7,10,13H,2-6,8-9,11-12,14H2,1H3,(H,18,19)/b10-7+,15-13+
InChIKey
PXADSXFEFVVZKW-GRVINKSSSA-N
Compound name
(7E,9E)-10-nitrohexadeca-7,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.194 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.201276 178.3
[M+Na]+ 320.183218 180.7
[M-H]- 296.186724 175.6
[M+NH4]+ 315.227823 187.8
[M+K]+ 336.157158 173.2
[M+H-H2O]+ 280.191260 176.7
[M+HCOO]- 342.192201 197.4
[M+CH3COO]- 356.207851 196.8
[M+Na-2H]- 318.168666 178.0
[M]+ 297.19345142 179.6
[M]- 297.19454858 179.6
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.