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]+ 217.133546 148.5
[M+Na]+ 239.115488 156.0
[M-H]- 215.118994 153.6
[M+NH4]+ 234.160093 165.8
[M+K]+ 255.089428 153.5
[M+H-H2O]+ 199.123530 140.2
[M+HCOO]- 261.124471 166.2
[M+CH3COO]- 275.140121 160.7
[M+Na-2H]- 237.100936 153.3
[M]+ 216.12572142 146.2
[M]- 216.12681858 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.