CID 218679

4a,9a-dihydro-1-(1-hydroxycyclopentylmethyl)-2(or 9)-methyl-9h-pyrido(3,4-b)indolium iodide

Structural Information

Molecular Formula
C18H23N2O
SMILES
C[N+]1=CCC2C3=CC=CC=C3NC2=C1CC4(CCCC4)O
InChI
InChI=1S/C18H23N2O/c1-20-11-8-14-13-6-2-3-7-15(13)19-17(14)16(20)12-18(21)9-4-5-10-18/h2-3,6-7,11,14,19,21H,4-5,8-10,12H2,1H3/q+1
InChIKey
QXLPCWHDBFBMIK-UHFFFAOYSA-N
Compound name
1-[(2-methyl-4a,9-dihydro-4H-pyrido[3,4-b]indol-2-ium-1-yl)methyl]cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.18103 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18831 170.9
[M+Na]+ 306.17025 177.9
[M-H]- 282.17375 174.4
[M+NH4]+ 301.21485 189.9
[M+K]+ 322.14419 165.9
[M+H-H2O]+ 266.17829 165.8
[M+HCOO]- 328.17923 185.1
[M+CH3COO]- 342.19488 189.2
[M+Na-2H]- 304.15570 174.3
[M]+ 283.18048 165.4
[M]- 283.18158 165.4
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.