CID 349044

3-nitroso-1-oxa-3-azaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C8H12N2O3
SMILES
C1CCC2(CC1)CN(C(=O)O2)N=O
InChI
InChI=1S/C8H12N2O3/c11-7-10(9-12)6-8(13-7)4-2-1-3-5-8/h1-6H2
InChIKey
AWGYCBDBVGCLSH-UHFFFAOYSA-N
Compound name
3-nitroso-1-oxa-3-azaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.0848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 135.6
[M+Na]+ 207.074018 142.1
[M-H]- 183.077524 141.4
[M+NH4]+ 202.118623 156.8
[M+K]+ 223.047958 142.9
[M+H-H2O]+ 167.082060 129.2
[M+HCOO]- 229.083001 156.8
[M+CH3COO]- 243.098651 181.2
[M+Na-2H]- 205.059466 142.3
[M]+ 184.08425142 132.8
[M]- 184.08534858 132.8
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