CID 169925

37460-43-8

Structural Information

Molecular Formula
C11H13NO5
SMILES
CCOCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H13NO5/c1-2-16-7-8-17-11(13)9-3-5-10(6-4-9)12(14)15/h3-6H,2,7-8H2,1H3
InChIKey
JVKUSNIMTZCOMW-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 151.5
[M+Na]+ 262.06860 157.6
[M-H]- 238.07210 155.0
[M+NH4]+ 257.11320 168.1
[M+K]+ 278.04254 152.9
[M+H-H2O]+ 222.07664 149.4
[M+HCOO]- 284.07758 176.4
[M+CH3COO]- 298.09323 185.0
[M+Na-2H]- 260.05405 157.7
[M]+ 239.07883 154.1
[M]- 239.07993 154.1
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.