CID 22386714

1-oxa-3,9-diazaspiro[5.5]undecan-2-one

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1CNCCC12CCNC(=O)O2
InChI
InChI=1S/C8H14N2O2/c11-7-10-6-3-8(12-7)1-4-9-5-2-8/h9H,1-6H2,(H,10,11)
InChIKey
KAXASJWZSSJLPG-UHFFFAOYSA-N
Compound name
1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

170.10553 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe