CID 6366129

4',5,9-trimethyl-2-(4'-aza-pentyl)decadi-4,8-ene acid

Structural Information

Molecular Formula
C17H31NO2
SMILES
CC(=CCC/C(=C/CC(CCCN(C)C)C(=O)O)/C)C
InChI
InChI=1S/C17H31NO2/c1-14(2)8-6-9-15(3)11-12-16(17(19)20)10-7-13-18(4)5/h8,11,16H,6-7,9-10,12-13H2,1-5H3,(H,19,20)/b15-11+
InChIKey
YJLRGSXYXOQIGX-RVDMUPIBSA-N
Compound name
(4E)-2-[3-(dimethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.23547 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.24275 176.9
[M+Na]+ 304.22469 178.7
[M-H]- 280.22819 175.7
[M+NH4]+ 299.26929 192.4
[M+K]+ 320.19863 177.1
[M+H-H2O]+ 264.23273 170.6
[M+HCOO]- 326.23367 194.3
[M+CH3COO]- 340.24932 209.3
[M+Na-2H]- 302.21014 172.1
[M]+ 281.23492 178.9
[M]- 281.23602 178.9
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.