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
5
Annotation Hits

0
References

154
Patents

275.18854 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 169.6
[M+Na]+ 298.17776 178.9
[M+NH4]+ 293.22236 175.8
[M+K]+ 314.15170 173.0
[M-H]- 274.18126 170.6
[M+Na-2H]- 296.16321 173.0
[M]+ 275.18799 170.9
[M]- 275.18909 170.9
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

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