CID 9925999

Uk5se4yr5n

Structural Information

Molecular Formula
C18H27NO2
SMILES
CN(C)CC1(CC2=C1C=C(C=C2)OC)C3(CCCCC3)O
InChI
InChI=1S/C18H27NO2/c1-19(2)13-17(18(20)9-5-4-6-10-18)12-14-7-8-15(21-3)11-16(14)17/h7-8,11,20H,4-6,9-10,12-13H2,1-3H3
InChIKey
UBIQMAFTTDZGEX-UHFFFAOYSA-N
Compound name
1-[7-[(dimethylamino)methyl]-4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

44
Patents

289.2042 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 171.5
[M+Na]+ 312.19342 177.7
[M+NH4]+ 307.23802 178.9
[M+K]+ 328.16736 169.0
[M-H]- 288.19692 173.1
[M+Na-2H]- 310.17887 176.9
[M]+ 289.20365 171.9
[M]- 289.20475 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe