CID 13520348

93413-79-7

Structural Information

Molecular Formula
C17H25NO
SMILES
CN(C)CC(C1=CCCCC1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H25NO/c1-18(2)13-17(14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h7,9-12,17H,4-6,8,13H2,1-3H3
InChIKey
OARSYJZOOXFPDU-UHFFFAOYSA-N
Compound name
2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

259.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 163.9
[M+Na]+ 282.18282 166.9
[M-H]- 258.18632 170.7
[M+NH4]+ 277.22742 180.5
[M+K]+ 298.15676 165.1
[M+H-H2O]+ 242.19086 155.5
[M+HCOO]- 304.19180 185.1
[M+CH3COO]- 318.20745 204.0
[M+Na-2H]- 280.16827 165.9
[M]+ 259.19305 162.8
[M]- 259.19415 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