CID 3018362

Nonyl anthranilate

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCCCCCCCOC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-10-13-19-16(18)14-11-8-9-12-15(14)17/h8-9,11-12H,2-7,10,13,17H2,1H3
InChIKey
KXSLATJQCYFGPZ-UHFFFAOYSA-N
Compound name
nonyl 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

263.18854 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 166.3
[M+Na]+ 286.177758 170.8
[M-H]- 262.181264 168.4
[M+NH4]+ 281.222363 182.5
[M+K]+ 302.151698 167.7
[M+H-H2O]+ 246.185800 158.9
[M+HCOO]- 308.186741 188.6
[M+CH3COO]- 322.202391 201.1
[M+Na-2H]- 284.163206 167.9
[M]+ 263.18799142 168.8
[M]- 263.18908858 168.8
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