CID 106829

67801-42-7

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(CC=NC1=CC=CC=C1C(=O)OC)CC(C)(C)C
InChI
InChI=1S/C17H25NO2/c1-13(12-17(2,3)4)10-11-18-15-9-7-6-8-14(15)16(19)20-5/h6-9,11,13H,10,12H2,1-5H3
InChIKey
GDZCMPXAZSTQGM-UHFFFAOYSA-N
Compound name
methyl 2-(3,5,5-trimethylhexylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

48
Patents

275.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 168.3
[M+Na]+ 298.177758 173.6
[M-H]- 274.181264 172.8
[M+NH4]+ 293.222363 185.3
[M+K]+ 314.151698 171.9
[M+H-H2O]+ 258.185800 161.6
[M+HCOO]- 320.186741 190.2
[M+CH3COO]- 334.202391 206.4
[M+Na-2H]- 296.163206 170.7
[M]+ 275.18799142 172.3
[M]- 275.18908858 172.3
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