CID 115076453

6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C)(C)COC1=CC2=C(CNCC2)C=C1
InChI
InChI=1S/C14H21NO/c1-14(2,3)10-16-13-5-4-12-9-15-7-6-11(12)8-13/h4-5,8,15H,6-7,9-10H2,1-3H3
InChIKey
PBMJLUBRGYXFHX-UHFFFAOYSA-N
Compound name
6-(2,2-dimethylpropoxy)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.2
[M+Na]+ 242.15153 158.9
[M-H]- 218.15503 154.2
[M+NH4]+ 237.19613 170.9
[M+K]+ 258.12547 155.3
[M+H-H2O]+ 202.15957 146.7
[M+HCOO]- 264.16051 168.9
[M+CH3COO]- 278.17616 187.4
[M+Na-2H]- 240.13698 159.5
[M]+ 219.16176 150.7
[M]- 219.16286 150.7
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.