CID 3016957

12-aminododeca-4,8-dienoic acid

Structural Information

Molecular Formula
C12H21NO2
SMILES
C(CC=CCCC=CCCC(=O)O)CN
InChI
InChI=1S/C12H21NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h3-6H,1-2,7-11,13H2,(H,14,15)
InChIKey
DBYBTIHLLFVDFH-UHFFFAOYSA-N
Compound name
12-aminododeca-4,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.15723 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 153.8
[M+Na]+ 234.146448 158.0
[M-H]- 210.149954 151.1
[M+NH4]+ 229.191053 171.3
[M+K]+ 250.120388 154.4
[M+H-H2O]+ 194.154490 148.0
[M+HCOO]- 256.155431 174.6
[M+CH3COO]- 270.171081 187.6
[M+Na-2H]- 232.131896 155.0
[M]+ 211.15668142 153.5
[M]- 211.15777858 153.5
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.