CID 22028512

5-methyl-2-piperidin-4-yl-1,3-benzoxazole

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3CCNCC3
InChI
InChI=1S/C13H16N2O/c1-9-2-3-12-11(8-9)15-13(16-12)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKey
OABOEOOTJDSLKD-UHFFFAOYSA-N
Compound name
5-methyl-2-piperidin-4-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

216.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 147.5
[M+Na]+ 239.115488 155.5
[M-H]- 215.118994 151.6
[M+NH4]+ 234.160093 164.2
[M+K]+ 255.089428 151.9
[M+H-H2O]+ 199.123530 139.5
[M+HCOO]- 261.124471 165.1
[M+CH3COO]- 275.140121 159.5
[M+Na-2H]- 237.100936 152.9
[M]+ 216.12572142 144.9
[M]- 216.12681858 144.9
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

patents stripe