CID 199815

5053-14-5

Structural Information

Molecular Formula
C14H18N2O2
SMILES
C1CN(CCC12CNC(=O)O2)CC3=CC=CC=C3
InChI
InChI=1S/C14H18N2O2/c17-13-15-11-14(18-13)6-8-16(9-7-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,17)
InChIKey
IUIWIPRVGAAEOH-UHFFFAOYSA-N
Compound name
8-benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

246.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 157.1
[M+Na]+ 269.126048 162.3
[M-H]- 245.129554 161.5
[M+NH4]+ 264.170653 173.0
[M+K]+ 285.099988 159.2
[M+H-H2O]+ 229.134090 148.4
[M+HCOO]- 291.135031 172.0
[M+CH3COO]- 305.150681 167.4
[M+Na-2H]- 267.111496 160.7
[M]+ 246.13628142 150.6
[M]- 246.13737858 150.6
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