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]+ 254.15395 156.6
[M+Na]+ 276.13589 162.8
[M-H]- 252.13939 161.5
[M+NH4]+ 271.18049 174.0
[M+K]+ 292.10983 161.7
[M+H-H2O]+ 236.14393 152.0
[M+HCOO]- 298.14487 175.5
[M+CH3COO]- 312.16052 167.7
[M+Na-2H]- 274.12134 162.4
[M]+ 253.14612 151.8
[M]- 253.14722 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.