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]+ 230.138686 150.7
[M+Na]+ 252.120628 153.6
[M-H]- 228.124134 156.3
[M+NH4]+ 247.165233 168.7
[M+K]+ 268.094568 151.4
[M+H-H2O]+ 212.128670 149.5
[M+HCOO]- 274.129611 167.0
[M+CH3COO]- 288.145261 180.8
[M+Na-2H]- 250.106076 160.2
[M]+ 229.13086142 144.8
[M]- 229.13195858 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.