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 168.4
[M+Na]+ 310.21412 167.4
[M-H]- 286.21762 173.2
[M+NH4]+ 305.25872 182.2
[M+K]+ 326.18806 167.1
[M+H-H2O]+ 270.22216 161.9
[M+HCOO]- 332.22310 182.1
[M+CH3COO]- 346.23875 176.0
[M+Na-2H]- 308.19957 169.7
[M]+ 287.22435 156.9
[M]- 287.22545 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.