CID 3051297

67367-86-6

Structural Information

Molecular Formula
C18H27NO
SMILES
CCN(CC)CC(C1=C2CCCC2=CC3=C1CCC3)O
InChI
InChI=1S/C18H27NO/c1-3-19(4-2)12-17(20)18-15-9-5-7-13(15)11-14-8-6-10-16(14)18/h11,17,20H,3-10,12H2,1-2H3
InChIKey
TZMIDECIDAQOHS-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 170.4
[M+Na]+ 296.19848 174.6
[M-H]- 272.20198 174.8
[M+NH4]+ 291.24308 191.9
[M+K]+ 312.17242 171.1
[M+H-H2O]+ 256.20652 164.5
[M+HCOO]- 318.20746 189.3
[M+CH3COO]- 332.22311 205.0
[M+Na-2H]- 294.18393 169.3
[M]+ 273.20871 169.7
[M]- 273.20981 169.7
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