CID 58700

2-(2-oxazolin-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrobromide

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CN(CC2=CC=CC=C21)C3=NCCO3
InChI
InChI=1S/C12H14N2O/c1-2-4-11-9-14(7-5-10(11)3-1)12-13-6-8-15-12/h1-4H,5-9H2
InChIKey
ZPBUTUMSIHZMDD-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 143.4
[M+Na]+ 225.09983 150.3
[M-H]- 201.10333 148.3
[M+NH4]+ 220.14443 160.9
[M+K]+ 241.07377 148.1
[M+H-H2O]+ 185.10787 135.0
[M+HCOO]- 247.10881 161.4
[M+CH3COO]- 261.12446 155.6
[M+Na-2H]- 223.08528 149.5
[M]+ 202.11006 140.3
[M]- 202.11116 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.