CID 155822460

2503202-06-8

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCOC(=O)C1C2=CC=CC=C2CC(N1)(C)C
InChI
InChI=1S/C14H19NO2/c1-4-17-13(16)12-11-8-6-5-7-10(11)9-14(2,3)15-12/h5-8,12,15H,4,9H2,1-3H3
InChIKey
QTWWYOKMBBEAOS-UHFFFAOYSA-N
Compound name
ethyl 3,3-dimethyl-2,4-dihydro-1H-isoquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.3
[M+Na]+ 256.13081 161.4
[M-H]- 232.13431 155.8
[M+NH4]+ 251.17541 173.5
[M+K]+ 272.10475 158.2
[M+H-H2O]+ 216.13885 148.0
[M+HCOO]- 278.13979 171.0
[M+CH3COO]- 292.15544 189.8
[M+Na-2H]- 254.11626 159.2
[M]+ 233.14104 153.1
[M]- 233.14214 153.1
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.