CID 39346

42882-71-3

Structural Information

Molecular Formula
C19H29NO
SMILES
C1CCC(CC1)NCC(C2=CC3=C(CCCCC3)C=C2)O
InChI
InChI=1S/C19H29NO/c21-19(14-20-18-9-5-2-6-10-18)17-12-11-15-7-3-1-4-8-16(15)13-17/h11-13,18-21H,1-10,14H2
InChIKey
NSJJRYQVDBJSMY-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.2249 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.23218 171.7
[M+Na]+ 310.21412 179.6
[M+NH4]+ 305.25872 179.9
[M+K]+ 326.18806 173.4
[M-H]- 286.21762 176.2
[M+Na-2H]- 308.19957 176.7
[M]+ 287.22435 174.0
[M]- 287.22545 174.0
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.