CID 21820299

4,4-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-one

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1(CNC(=O)C2=CC=CC=C21)C
InChI
InChI=1S/C11H13NO/c1-11(2)7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3,(H,12,13)
InChIKey
GZNOQHOEQNQFAB-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,3-dihydroisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

175.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.1
[M+Na]+ 198.08894 145.8
[M-H]- 174.09244 139.1
[M+NH4]+ 193.13354 158.7
[M+K]+ 214.06288 142.2
[M+H-H2O]+ 158.09698 131.3
[M+HCOO]- 220.09792 155.6
[M+CH3COO]- 234.11357 178.4
[M+Na-2H]- 196.07439 144.7
[M]+ 175.09917 134.1
[M]- 175.10027 134.1
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

patents stripe