CID 118701782

Tetranor-8-no2-cla

Structural Information

Molecular Formula
C14H23NO4
SMILES
CCCCCC/C(=C\C=C\CCCC(=O)O)/[N+](=O)[O-]
InChI
InChI=1S/C14H23NO4/c1-2-3-4-7-10-13(15(18)19)11-8-5-6-9-12-14(16)17/h5,8,11H,2-4,6-7,9-10,12H2,1H3,(H,16,17)/b8-5+,13-11+
InChIKey
NEDSPIMVNZOJHB-PGMBSLALSA-N
Compound name
(5E,7E)-8-nitrotetradeca-5,7-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 168.9
[M+Na]+ 292.15194 172.2
[M-H]- 268.15544 166.6
[M+NH4]+ 287.19654 180.2
[M+K]+ 308.12588 165.1
[M+H-H2O]+ 252.15998 167.6
[M+HCOO]- 314.16092 190.5
[M+CH3COO]- 328.17657 190.8
[M+Na-2H]- 290.13739 169.7
[M]+ 269.16217 169.4
[M]- 269.16327 169.4
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.