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

45
Patents

275.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 168.3
[M+Na]+ 298.17776 173.6
[M-H]- 274.18126 172.8
[M+NH4]+ 293.22236 185.3
[M+K]+ 314.15170 171.9
[M+H-H2O]+ 258.18580 161.6
[M+HCOO]- 320.18674 190.2
[M+CH3COO]- 334.20239 206.4
[M+Na-2H]- 296.16321 170.7
[M]+ 275.18799 172.3
[M]- 275.18909 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