CID 67265

1,4-dibutoxy-2-nitrobenzene

Structural Information

Molecular Formula
C14H21NO4
SMILES
CCCCOC1=CC(=C(C=C1)OCCCC)[N+](=O)[O-]
InChI
InChI=1S/C14H21NO4/c1-3-5-9-18-12-7-8-14(19-10-6-4-2)13(11-12)15(16)17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey
UVLGMZCLSQBSPZ-UHFFFAOYSA-N
Compound name
1,4-dibutoxy-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.14706 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 163.8
[M+Na]+ 290.136278 169.5
[M-H]- 266.139784 167.0
[M+NH4]+ 285.180883 179.8
[M+K]+ 306.110218 163.7
[M+H-H2O]+ 250.144320 161.4
[M+HCOO]- 312.145261 188.2
[M+CH3COO]- 326.160911 194.2
[M+Na-2H]- 288.121726 168.8
[M]+ 267.14651142 168.0
[M]- 267.14760858 168.0
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.