CID 84655264

2751611-65-9

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(=O)C1=CC=CC2=C1CCNC2
InChI
InChI=1S/C11H13NO/c1-8(13)10-4-2-3-9-7-12-6-5-11(9)10/h2-4,12H,5-7H2,1H3
InChIKey
ZOJQOFROUWBQLA-UHFFFAOYSA-N
Compound name
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 138.0
[M+Na]+ 198.08894 150.6
[M+NH4]+ 193.13354 147.1
[M+K]+ 214.06288 143.9
[M-H]- 174.09244 140.0
[M+Na-2H]- 196.07439 143.9
[M]+ 175.09917 140.3
[M]- 175.10027 140.3
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

No patent data available for this compound.