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
3
Annotation Hits

0
References

21
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 172.7
[M+Na]+ 310.17776 177.0
[M-H]- 286.18126 176.7
[M+NH4]+ 305.22236 188.8
[M+K]+ 326.15170 174.5
[M+H-H2O]+ 270.18580 165.1
[M+HCOO]- 332.18674 194.8
[M+CH3COO]- 346.20239 209.0
[M+Na-2H]- 308.16321 172.4
[M]+ 287.18799 176.0
[M]- 287.18909 176.0
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