CID 10330783

1-(2,2-dimethoxyethyl)-2-nitrobenzene

Structural Information

Molecular Formula
C10H13NO4
SMILES
COC(CC1=CC=CC=C1[N+](=O)[O-])OC
InChI
InChI=1S/C10H13NO4/c1-14-10(15-2)7-8-5-3-4-6-9(8)11(12)13/h3-6,10H,7H2,1-2H3
InChIKey
SFJXRPYEEMNGOJ-UHFFFAOYSA-N
Compound name
1-(2,2-dimethoxyethyl)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

211.08446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 144.7
[M+Na]+ 234.073678 151.1
[M-H]- 210.077184 148.4
[M+NH4]+ 229.118283 162.7
[M+K]+ 250.047618 146.7
[M+H-H2O]+ 194.081720 143.1
[M+HCOO]- 256.082661 169.6
[M+CH3COO]- 270.098311 181.7
[M+Na-2H]- 232.059126 151.3
[M]+ 211.08391142 146.5
[M]- 211.08500858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe