CID 57420565

1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(=O)C1=CC2=C(CNCC2)C=C1
InChI
InChI=1S/C11H13NO/c1-8(13)9-2-3-11-7-12-5-4-10(11)6-9/h2-3,6,12H,4-5,7H2,1H3
InChIKey
WHFXFTCWKXJMBK-UHFFFAOYSA-N
Compound name
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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 137.3
[M+Na]+ 198.08894 143.8
[M-H]- 174.09244 138.6
[M+NH4]+ 193.13354 156.4
[M+K]+ 214.06288 140.4
[M+H-H2O]+ 158.09698 130.9
[M+HCOO]- 220.09792 154.9
[M+CH3COO]- 234.11357 178.6
[M+Na-2H]- 196.07439 143.4
[M]+ 175.09917 133.0
[M]- 175.10027 133.0
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

patents stripe