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]+ 190.10739 141.7
[M+Na]+ 212.08933 146.6
[M-H]- 188.09283 146.0
[M+NH4]+ 207.13393 159.5
[M+K]+ 228.06327 144.8
[M+H-H2O]+ 172.09737 141.6
[M+HCOO]- 234.09831 162.6
[M+CH3COO]- 248.11396 175.1
[M+Na-2H]- 210.07478 150.7
[M]+ 189.09956 141.4
[M]- 189.10066 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