CID 14633

3-(2-piperidinoethyl)-2-benzoxazolinone hydrochloride

Structural Information

Molecular Formula
C14H18N2O2
SMILES
C1CCN(CC1)CCN2C3=CC=CC=C3OC2=O
InChI
InChI=1S/C14H18N2O2/c17-14-16(11-10-15-8-4-1-5-9-15)12-6-2-3-7-13(12)18-14/h2-3,6-7H,1,4-5,8-11H2
InChIKey
TXACIQGUKJSIDI-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 154.3
[M+Na]+ 269.12605 162.3
[M-H]- 245.12955 159.5
[M+NH4]+ 264.17065 170.2
[M+K]+ 285.09999 159.3
[M+H-H2O]+ 229.13409 145.6
[M+HCOO]- 291.13503 173.3
[M+CH3COO]- 305.15068 166.3
[M+Na-2H]- 267.11150 159.5
[M]+ 246.13628 154.5
[M]- 246.13738 154.5
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

No patent data available for this compound.