CID 105898

2,6-octadien-1-ol, 3,7-dimethyl-, 2-aminobenzoate, (2e)-

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(=CCCC(=CCOC(=O)C1=CC=CC=C1N)C)C
InChI
InChI=1S/C17H23NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-11H,6,8,12,18H2,1-3H3
InChIKey
QLRICECRKJGSKQ-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-2,6-dienyl 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1013
Patents

273.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 169.3
[M+Na]+ 296.16210 173.6
[M-H]- 272.16560 171.5
[M+NH4]+ 291.20670 184.9
[M+K]+ 312.13604 170.1
[M+H-H2O]+ 256.17014 162.2
[M+HCOO]- 318.17108 189.6
[M+CH3COO]- 332.18673 202.9
[M+Na-2H]- 294.14755 167.9
[M]+ 273.17233 169.3
[M]- 273.17343 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe