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]+ 288.232176 168.4
[M+Na]+ 310.214118 167.4
[M-H]- 286.217624 173.2
[M+NH4]+ 305.258723 182.2
[M+K]+ 326.188058 167.1
[M+H-H2O]+ 270.222160 161.9
[M+HCOO]- 332.223101 182.1
[M+CH3COO]- 346.238751 176.0
[M+Na-2H]- 308.199566 169.7
[M]+ 287.22435142 156.9
[M]- 287.22544858 156.9
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.