CID 421584

102259-76-7

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1CCC2=CC=CC=C2N1C3=NCCO3
InChI
InChI=1S/C13H16N2O/c1-10-6-7-11-4-2-3-5-12(11)15(10)13-14-8-9-16-13/h2-5,10H,6-9H2,1H3
InChIKey
FRIPHYNKQLRIGJ-UHFFFAOYSA-N
Compound name
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.5
[M+Na]+ 239.11549 156.0
[M-H]- 215.11899 153.6
[M+NH4]+ 234.16009 165.8
[M+K]+ 255.08943 153.5
[M+H-H2O]+ 199.12353 140.2
[M+HCOO]- 261.12447 166.2
[M+CH3COO]- 275.14012 160.7
[M+Na-2H]- 237.10094 153.3
[M]+ 216.12572 146.2
[M]- 216.12682 146.2
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.