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
1
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]+ 272.16451 163.7
[M+Na]+ 294.14645 169.7
[M-H]- 270.14995 171.4
[M+NH4]+ 289.19105 182.4
[M+K]+ 310.12039 167.2
[M+H-H2O]+ 254.15449 156.2
[M+HCOO]- 316.15543 186.6
[M+CH3COO]- 330.17108 202.9
[M+Na-2H]- 292.13190 167.5
[M]+ 271.15668 163.9
[M]- 271.15778 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.