CID 109467

Citronellyl anthranilate

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(CCC=C(C)C)CCOC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C17H25NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-10,14H,6,8,11-12,18H2,1-3H3
InChIKey
LSJVFMHIFWWGDY-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-6-enyl 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

187
Patents

275.18854 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 170.6
[M+Na]+ 298.177758 174.5
[M-H]- 274.181264 172.7
[M+NH4]+ 293.222363 186.1
[M+K]+ 314.151698 171.6
[M+H-H2O]+ 258.185800 163.4
[M+HCOO]- 320.186741 190.7
[M+CH3COO]- 334.202391 204.4
[M+Na-2H]- 296.163206 169.2
[M]+ 275.18799142 171.4
[M]- 275.18908858 171.4
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