CID 218298

40431-55-8

Structural Information

Molecular Formula
C14H20N2
SMILES
CC1=CC(=C2C(=C1)C3CN(CCC3N2)C)C
InChI
InChI=1S/C14H20N2/c1-9-6-10(2)14-11(7-9)12-8-16(3)5-4-13(12)15-14/h6-7,12-13,15H,4-5,8H2,1-3H3
InChIKey
FAVNIBZDLXWPKS-UHFFFAOYSA-N
Compound name
2,6,8-trimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 152.6
[M+Na]+ 239.15186 161.0
[M-H]- 215.15536 153.8
[M+NH4]+ 234.19646 172.5
[M+K]+ 255.12580 155.7
[M+H-H2O]+ 199.15990 145.7
[M+HCOO]- 261.16084 167.4
[M+CH3COO]- 275.17649 163.9
[M+Na-2H]- 237.13731 155.0
[M]+ 216.16209 148.9
[M]- 216.16319 148.9
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.