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
7
Annotation Hits

0
References

544
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 167.8
[M+Na]+ 296.16210 172.8
[M-H]- 272.16560 170.3
[M+NH4]+ 291.20670 183.6
[M+K]+ 312.13604 169.2
[M+H-H2O]+ 256.17014 161.4
[M+HCOO]- 318.17108 187.6
[M+CH3COO]- 332.18673 203.0
[M+Na-2H]- 294.14755 168.6
[M]+ 273.17233 168.1
[M]- 273.17343 168.1
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