CID 3764701

Pyrazino[1,2-a]indole, 1,2,3,4-tetrahydro-2,10-dimethyl-

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=C2CN(CCN2C3=CC=CC=C13)C
InChI
InChI=1S/C13H16N2/c1-10-11-5-3-4-6-12(11)15-8-7-14(2)9-13(10)15/h3-6H,7-9H2,1-2H3
InChIKey
WKICMCYJPARRSZ-UHFFFAOYSA-N
Compound name
2,10-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

200.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 144.5
[M+Na]+ 223.120568 154.8
[M-H]- 199.124074 147.6
[M+NH4]+ 218.165173 165.6
[M+K]+ 239.094508 150.3
[M+H-H2O]+ 183.128610 137.1
[M+HCOO]- 245.129551 164.1
[M+CH3COO]- 259.145201 157.7
[M+Na-2H]- 221.106016 150.6
[M]+ 200.13080142 144.8
[M]- 200.13189858 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.