CID 58700

101670-56-8

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]+ 203.117886 143.4
[M+Na]+ 225.099828 150.3
[M-H]- 201.103334 148.3
[M+NH4]+ 220.144433 160.9
[M+K]+ 241.073768 148.1
[M+H-H2O]+ 185.107870 135.0
[M+HCOO]- 247.108811 161.4
[M+CH3COO]- 261.124461 155.6
[M+Na-2H]- 223.085276 149.5
[M]+ 202.11006142 140.3
[M]- 202.11115858 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.