CID 39653

50341-98-5

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CN(C)CCOC(=O)C1C2=CC=CC=C2CCN1
InChI
InChI=1S/C14H20N2O2/c1-16(2)9-10-18-14(17)13-12-6-4-3-5-11(12)7-8-15-13/h3-6,13,15H,7-10H2,1-2H3
InChIKey
PMDPZQIYJZLBFB-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 157.9
[M+Na]+ 271.14170 168.3
[M+NH4]+ 266.18630 165.5
[M+K]+ 287.11564 162.3
[M-H]- 247.14520 159.7
[M+Na-2H]- 269.12715 162.4
[M]+ 248.15193 159.6
[M]- 248.15303 159.6
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.