CID 82412456

9-oxa-1,4-diazaspiro[5.5]undecan-3-one

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1COCCC12CNC(=O)CN2
InChI
InChI=1S/C8H14N2O2/c11-7-5-10-8(6-9-7)1-3-12-4-2-8/h10H,1-6H2,(H,9,11)
InChIKey
JZLCKTCLMVWGPI-UHFFFAOYSA-N
Compound name
9-oxa-1,4-diazaspiro[5.5]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.10553 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.112806 138.6
[M+Na]+ 193.094748 142.7
[M-H]- 169.098254 138.1
[M+NH4]+ 188.139353 155.1
[M+K]+ 209.068688 140.9
[M+H-H2O]+ 153.102790 131.3
[M+HCOO]- 215.103731 150.2
[M+CH3COO]- 229.119381 148.5
[M+Na-2H]- 191.080196 145.0
[M]+ 170.10498142 128.1
[M]- 170.10607858 128.1
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.