CID 75355774

7-methyl-2-(piperidin-4-yl)-1,3-benzoxazole

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1=C2C(=CC=C1)N=C(O2)C3CCNCC3
InChI
InChI=1S/C13H16N2O/c1-9-3-2-4-11-12(9)16-13(15-11)10-5-7-14-8-6-10/h2-4,10,14H,5-8H2,1H3
InChIKey
XFNWBAIKMNDOLN-UHFFFAOYSA-N
Compound name
7-methyl-2-piperidin-4-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

216.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.0
[M+Na]+ 239.11549 162.1
[M+NH4]+ 234.16009 157.1
[M+K]+ 255.08943 156.8
[M-H]- 215.11899 152.8
[M+Na-2H]- 237.10094 154.8
[M]+ 216.12572 151.4
[M]- 216.12682 151.4
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