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: 23
Patents: 287.18854 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.195816	172.7
[M+Na]+	310.177758	177.0
[M-H]-	286.181264	176.7
[M+NH4]+	305.222363	188.8
[M+K]+	326.151698	174.5
[M+H-H2O]+	270.185800	165.1
[M+HCOO]-	332.186741	194.8
[M+CH3COO]-	346.202391	209.0
[M+Na-2H]-	308.163206	172.4
[M]+	287.18799142	176.0
[M]-	287.18908858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe