CID 3038706

41829-14-5

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC[C@H]3N)O)O
InChI
InChI=1S/C13H18N2O2/c1-15-5-4-7-6-10(16)13(17)12-8(14)2-3-9(15)11(7)12/h6,8-9,16-17H,2-5,14H2,1H3/t8-,9+/m1/s1
InChIKey
MVWUTIJOEDGWCY-BDAKNGLRSA-N
Compound name
(7R,9aS)-7-amino-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinoline-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 151.7
[M+Na]+ 257.12605 163.1
[M+NH4]+ 252.17065 160.3
[M+K]+ 273.09999 157.2
[M-H]- 233.12955 153.6
[M+Na-2H]- 255.11150 153.8
[M]+ 234.13628 153.6
[M]- 234.13738 153.6
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.