CID 18687359

2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine

Structural Information

Molecular Formula
C11H16N2
SMILES
CCN1CCC2=C(C1)C=CC=C2N
InChI
InChI=1S/C11H16N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8,12H2,1H3
InChIKey
BQEJAFIVZNAXGW-UHFFFAOYSA-N
Compound name
2-ethyl-3,4-dihydro-1H-isoquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

176.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 138.9
[M+Na]+ 199.120568 146.0
[M-H]- 175.124074 141.3
[M+NH4]+ 194.165173 158.6
[M+K]+ 215.094508 142.6
[M+H-H2O]+ 159.128610 132.1
[M+HCOO]- 221.129551 158.9
[M+CH3COO]- 235.145201 184.5
[M+Na-2H]- 197.106016 145.3
[M]+ 176.13080142 135.0
[M]- 176.13189858 135.0
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

patents stripe