CID 98817

Uyr5fs3u4w

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CCC2=C(C1)C=CC=C2NC3=NCCO3
InChI
InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h3,5,7H,1-2,4,6,8-9H2,(H,14,15)
InChIKey
PSFTWRBPOOGWNS-UHFFFAOYSA-N
Compound name
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

216.12627 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.8
[M+Na]+ 239.11549 161.0
[M+NH4]+ 234.16009 158.4
[M+K]+ 255.08943 155.5
[M-H]- 215.11899 154.8
[M+Na-2H]- 237.10094 155.6
[M]+ 216.12572 152.1
[M]- 216.12682 152.1
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