CID 137964009

2225142-04-9

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1CC2(C1)C3(CNC3)OC(=O)N2
InChI
InChI=1S/C8H12N2O2/c11-6-10-7(2-1-3-7)8(12-6)4-9-5-8/h9H,1-5H2,(H,10,11)
InChIKey
JNVLXVNESVAOAU-UHFFFAOYSA-N
Compound name
9-oxa-7,11-diazadispiro[3.0.35.34]undecan-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 139.6
[M+Na]+ 191.07909 139.5
[M+NH4]+ 186.12369 141.5
[M+K]+ 207.05303 137.8
[M-H]- 167.08259 135.7
[M+Na-2H]- 189.06454 139.8
[M]+ 168.08932 136.3
[M]- 168.09042 136.3
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.