CID 106871

Citronellal methylanthranilate

Structural Information

Molecular Formula
C18H25NO2
SMILES
CC(CCC=C(C)C)CC=NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C18H25NO2/c1-14(2)8-7-9-15(3)12-13-19-17-11-6-5-10-16(17)18(20)21-4/h5-6,8,10-11,13,15H,7,9,12H2,1-4H3
InChIKey
FOIQCUQRLOGHEZ-UHFFFAOYSA-N
Compound name
methyl 2-(3,7-dimethyloct-6-enylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

287.18854 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 172.4
[M+Na]+ 310.17776 182.4
[M+NH4]+ 305.22236 178.7
[M+K]+ 326.15170 175.7
[M-H]- 286.18126 173.9
[M+Na-2H]- 308.16321 176.6
[M]+ 287.18799 174.0
[M]- 287.18909 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe