CID 40742

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C11H16N2
SMILES
C1CN(CC2=CC=CC=C21)CCN
InChI
InChI=1S/C11H16N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9,12H2
InChIKey
JTEJMGHPAYJBTA-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

103
Patents

176.13135 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 138.6
[M+Na]+ 199.12057 144.6
[M-H]- 175.12407 140.5
[M+NH4]+ 194.16517 157.9
[M+K]+ 215.09451 141.3
[M+H-H2O]+ 159.12861 131.5
[M+HCOO]- 221.12955 158.6
[M+CH3COO]- 235.14520 183.3
[M+Na-2H]- 197.10602 145.7
[M]+ 176.13080 134.3
[M]- 176.13190 134.3
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