CID 22693

6284-15-7

Structural Information

Molecular Formula
C11H19NO4
SMILES
CCC1(COC2(CCCCC2)OC1)[N+](=O)[O-]
InChI
InChI=1S/C11H19NO4/c1-2-10(12(13)14)8-15-11(16-9-10)6-4-3-5-7-11/h2-9H2,1H3
InChIKey
LIYKKPDQKTUJFW-UHFFFAOYSA-N
Compound name
3-ethyl-3-nitro-1,5-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 150.7
[M+Na]+ 252.12063 153.6
[M-H]- 228.12413 156.3
[M+NH4]+ 247.16523 168.7
[M+K]+ 268.09457 151.4
[M+H-H2O]+ 212.12867 149.5
[M+HCOO]- 274.12961 167.0
[M+CH3COO]- 288.14526 180.8
[M+Na-2H]- 250.10608 160.2
[M]+ 229.13086 144.8
[M]- 229.13196 144.8
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

No patent data available for this compound.