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]+ 185.09208 135.6
[M+Na]+ 207.07402 142.1
[M-H]- 183.07752 141.4
[M+NH4]+ 202.11862 156.8
[M+K]+ 223.04796 142.9
[M+H-H2O]+ 167.08206 129.2
[M+HCOO]- 229.08300 156.8
[M+CH3COO]- 243.09865 181.2
[M+Na-2H]- 205.05947 142.3
[M]+ 184.08425 132.8
[M]- 184.08535 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