CID 3024139

94248-34-7

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC1(C=CCCC1(C)C=NC2=CC=CC=C2C(=O)OC)C
InChI
InChI=1S/C18H23NO2/c1-17(2)11-7-8-12-18(17,3)13-19-15-10-6-5-9-14(15)16(20)21-4/h5-7,9-11,13H,8,12H2,1-4H3
InChIKey
ZEIURLXALIRALL-UHFFFAOYSA-N
Compound name
methyl 2-[(1,2,2-trimethylcyclohex-3-en-1-yl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 166.6
[M+Na]+ 308.162098 173.2
[M-H]- 284.165604 174.5
[M+NH4]+ 303.206703 186.8
[M+K]+ 324.136038 170.9
[M+H-H2O]+ 268.170140 159.7
[M+HCOO]- 330.171081 189.2
[M+CH3COO]- 344.186731 205.6
[M+Na-2H]- 306.147546 171.2
[M]+ 285.17233142 167.6
[M]- 285.17342858 167.6
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

No patent data available for this compound.