CID 3023160

93981-49-8

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC1C=CCCC1(C)C=NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C17H21NO2/c1-13-8-6-7-11-17(13,2)12-18-15-10-5-4-9-14(15)16(19)20-3/h4-6,8-10,12-13H,7,11H2,1-3H3
InChIKey
QVJHBJZLOUPGLB-UHFFFAOYSA-N
Compound name
methyl 2-[(1,2-dimethylcyclohex-3-en-1-yl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 163.7
[M+Na]+ 294.146448 169.7
[M-H]- 270.149954 171.4
[M+NH4]+ 289.191053 182.4
[M+K]+ 310.120388 167.2
[M+H-H2O]+ 254.154490 156.2
[M+HCOO]- 316.155431 186.6
[M+CH3COO]- 330.171081 202.9
[M+Na-2H]- 292.131896 167.5
[M]+ 271.15668142 163.9
[M]- 271.15777858 163.9
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.