CID 36020

5h-dibenzo(a,d)cyclohepten-10-ol, 10,11-dihydro-11-(ethylamino)-, hydrochloride, (z)-

Structural Information

Molecular Formula
C17H19NO
SMILES
C1C2=CC=CC=C2[C@@H]([C@@H](C3=CC=CC=C31)O)CCN
InChI
InChI=1S/C17H19NO/c18-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)17(16)19/h1-8,16-17,19H,9-11,18H2/t16-,17+/m0/s1
InChIKey
KGMVLMJYRNGYMP-DLBZAZTESA-N
Compound name
(9S,10S)-10-(2-aminoethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 156.6
[M+Na]+ 276.135888 162.8
[M-H]- 252.139394 161.5
[M+NH4]+ 271.180493 174.0
[M+K]+ 292.109828 161.7
[M+H-H2O]+ 236.143930 152.0
[M+HCOO]- 298.144871 175.5
[M+CH3COO]- 312.160521 167.7
[M+Na-2H]- 274.121336 162.4
[M]+ 253.14612142 151.8
[M]- 253.14721858 151.8
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.