CID 118701779

Dinor-7-no2-cla

Structural Information

Molecular Formula
C16H27NO4
SMILES
CCCCCC/C=C/C=C(\CCCCCC(=O)O)/[N+](=O)[O-]
InChI
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-9-12-15(17(20)21)13-10-8-11-14-16(18)19/h7,9,12H,2-6,8,10-11,13-14H2,1H3,(H,18,19)/b9-7+,15-12+
InChIKey
LQLPBMSWEIRISV-KDFHGORWSA-N
Compound name
(7E,9E)-7-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]+ 298.20128 178.3
[M+Na]+ 320.18322 180.7
[M-H]- 296.18672 175.6
[M+NH4]+ 315.22782 187.8
[M+K]+ 336.15716 173.2
[M+H-H2O]+ 280.19126 176.7
[M+HCOO]- 342.19220 197.4
[M+CH3COO]- 356.20785 196.8
[M+Na-2H]- 318.16867 178.0
[M]+ 297.19345 179.6
[M]- 297.19455 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.