CID 40133

51805-82-4

Structural Information

Molecular Formula
C15H19NO
SMILES
CN1C2CCC1[C@@H]3[C@H](C2)C4=CC=CC=C4[C@@H]3O
InChI
InChI=1S/C15H19NO/c1-16-9-6-7-13(16)14-12(8-9)10-4-2-3-5-11(10)15(14)17/h2-5,9,12-15,17H,6-8H2,1H3/t9?,12-,13?,14+,15+/m1/s1
InChIKey
GRQXEJOBDLWUGQ-HJBRBHBJSA-N
Compound name
(2S,3R,10S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-trien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.153946 153.4
[M+Na]+ 252.135888 161.6
[M-H]- 228.139394 155.6
[M+NH4]+ 247.180493 177.2
[M+K]+ 268.109828 156.3
[M+H-H2O]+ 212.143930 148.2
[M+HCOO]- 274.144871 168.3
[M+CH3COO]- 288.160521 165.1
[M+Na-2H]- 250.121336 155.3
[M]+ 229.14612142 151.1
[M]- 229.14721858 151.1
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.