CID 106469

1-(2,5-diethoxy-4-nitrophenyl)pyrrolidine

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CCOC1=CC(=C(C=C1N2CCCC2)OCC)[N+](=O)[O-]
InChI
InChI=1S/C14H20N2O4/c1-3-19-13-10-12(16(17)18)14(20-4-2)9-11(13)15-7-5-6-8-15/h9-10H,3-8H2,1-2H3
InChIKey
KBGMGRHASIXYHM-UHFFFAOYSA-N
Compound name
1-(2,5-diethoxy-4-nitrophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 165.3
[M+Na]+ 303.131518 170.6
[M-H]- 279.135024 170.5
[M+NH4]+ 298.176123 180.8
[M+K]+ 319.105458 164.6
[M+H-H2O]+ 263.139560 161.9
[M+HCOO]- 325.140501 187.7
[M+CH3COO]- 339.156151 194.3
[M+Na-2H]- 301.116966 168.5
[M]+ 280.14175142 165.3
[M]- 280.14284858 165.3
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.