CID 4961930

885461-59-6

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CCNC(C1)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C12H14N2O/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-2,5,7,10,13H,3-4,6,8H2
InChIKey
CWSFHGFMFIJLDQ-UHFFFAOYSA-N
Compound name
2-piperidin-2-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 142.2
[M+Na]+ 225.099828 149.7
[M-H]- 201.103334 146.1
[M+NH4]+ 220.144433 159.2
[M+K]+ 241.073768 146.4
[M+H-H2O]+ 185.107870 134.2
[M+HCOO]- 247.108811 160.2
[M+CH3COO]- 261.124461 154.4
[M+Na-2H]- 223.085276 149.0
[M]+ 202.11006142 138.9
[M]- 202.11115858 138.9
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.