CID 218362

Chembl75030

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CC(C2=CC=CC=C2C1)NC3=NCCO3
InChI
InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
InChIKey
FXNNPMSELIMMHU-UHFFFAOYSA-N
Compound name
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

216.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 146.4
[M+Na]+ 239.11549 152.0
[M-H]- 215.11899 152.5
[M+NH4]+ 234.16009 164.4
[M+K]+ 255.08943 149.6
[M+H-H2O]+ 199.12353 138.6
[M+HCOO]- 261.12447 166.5
[M+CH3COO]- 275.14012 158.4
[M+Na-2H]- 237.10094 152.8
[M]+ 216.12572 142.5
[M]- 216.12682 142.5
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