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]+ 249.159756 157.8
[M+Na]+ 271.141698 162.1
[M-H]- 247.145204 159.8
[M+NH4]+ 266.186303 174.1
[M+K]+ 287.115638 159.9
[M+H-H2O]+ 231.149740 150.0
[M+HCOO]- 293.150681 176.0
[M+CH3COO]- 307.166331 197.4
[M+Na-2H]- 269.127146 161.9
[M]+ 248.15193142 156.4
[M]- 248.15302858 156.4
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.