CID 552563

2-(3-methyl-3-nitrobutyl)-1,3-dioxolane

Structural Information

Molecular Formula
C8H15NO4
SMILES
CC(C)(CCC1OCCO1)[N+](=O)[O-]
InChI
InChI=1S/C8H15NO4/c1-8(2,9(10)11)4-3-7-12-5-6-13-7/h7H,3-6H2,1-2H3
InChIKey
ONLCLPRCWSOGPM-UHFFFAOYSA-N
Compound name
2-(3-methyl-3-nitrobutyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

189.10011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.107386 141.7
[M+Na]+ 212.089328 146.6
[M-H]- 188.092834 146.0
[M+NH4]+ 207.133933 159.5
[M+K]+ 228.063268 144.8
[M+H-H2O]+ 172.097370 141.6
[M+HCOO]- 234.098311 162.6
[M+CH3COO]- 248.113961 175.1
[M+Na-2H]- 210.074776 150.7
[M]+ 189.09956142 141.4
[M]- 189.10065858 141.4
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