CID 8633

Menthyl anthranilate

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC1CCC(C(C1)OC(=O)C2=CC=CC=C2N)C(C)C
InChI
InChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3
InChIKey
SOXAGEOHPCXXIO-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

15341
Patents

275.18854 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.6
[M+Na]+ 298.177758 171.5
[M-H]- 274.181264 173.0
[M+NH4]+ 293.222363 183.2
[M+K]+ 314.151698 168.8
[M+H-H2O]+ 258.185800 160.2
[M+HCOO]- 320.186741 185.7
[M+CH3COO]- 334.202391 204.2
[M+Na-2H]- 296.163206 165.9
[M]+ 275.18799142 163.8
[M]- 275.18908858 163.8
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

patents stripe