CID 3034893

Einecs 272-124-5

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC\1C=C(CC/C1=C\NC2=CC=CC=C2C(=O)OC)C
InChI
InChI=1S/C17H21NO2/c1-12-8-9-14(13(2)10-12)11-18-16-7-5-4-6-15(16)17(19)20-3/h4-7,10-11,13,18H,8-9H2,1-3H3/b14-11+
InChIKey
KDSJAOIHFZMUNK-SDNWHVSQSA-N
Compound name
methyl 2-[[(E)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

98
Patents

271.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 164.4
[M+Na]+ 294.14645 170.0
[M-H]- 270.14995 170.7
[M+NH4]+ 289.19105 180.6
[M+K]+ 310.12039 166.3
[M+H-H2O]+ 254.15449 156.8
[M+HCOO]- 316.15543 185.8
[M+CH3COO]- 330.17108 202.1
[M+Na-2H]- 292.13190 165.9
[M]+ 271.15668 162.8
[M]- 271.15778 162.8
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