CID 115067402

9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one hydrochloride

Structural Information

Molecular Formula
C14H18N2O2
SMILES
C1CNCC12CN(C(=O)CO2)CC3=CC=CC=C3
InChI
InChI=1S/C14H18N2O2/c17-13-9-18-14(6-7-15-10-14)11-16(13)8-12-4-2-1-3-5-12/h1-5,15H,6-11H2
InChIKey
RJQDZPPEJOZZKY-UHFFFAOYSA-N
Compound name
9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 157.1
[M+Na]+ 269.12605 162.3
[M-H]- 245.12955 161.5
[M+NH4]+ 264.17065 173.0
[M+K]+ 285.09999 159.2
[M+H-H2O]+ 229.13409 148.4
[M+HCOO]- 291.13503 172.0
[M+CH3COO]- 305.15068 167.4
[M+Na-2H]- 267.11150 160.7
[M]+ 246.13628 150.6
[M]- 246.13738 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

No patent data available for this compound.