CID 23535

Linalyl anthranilate

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N)C
InChI
InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3
InChIKey
WHIJSULEEDNKPD-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

524
Patents

273.17288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 168.1
[M+Na]+ 296.16210 177.5
[M+NH4]+ 291.20670 173.9
[M+K]+ 312.13604 172.0
[M-H]- 272.16560 168.5
[M+Na-2H]- 294.14755 171.8
[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