CID 3085509

Pyrrolidine, 1-(4-nitro-2,5-dipropoxyphenyl)-

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CCCOC1=CC(=C(C=C1N2CCCC2)OCCC)[N+](=O)[O-]
InChI
InChI=1S/C16H24N2O4/c1-3-9-21-15-12-14(18(19)20)16(22-10-4-2)11-13(15)17-7-5-6-8-17/h11-12H,3-10H2,1-2H3
InChIKey
HOOSMTRDBKNLCN-UHFFFAOYSA-N
Compound name
1-(4-nitro-2,5-dipropoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.180876 174.8
[M+Na]+ 331.162818 179.2
[M-H]- 307.166324 179.6
[M+NH4]+ 326.207423 189.1
[M+K]+ 347.136758 172.7
[M+H-H2O]+ 291.170860 171.0
[M+HCOO]- 353.171801 196.5
[M+CH3COO]- 367.187451 200.3
[M+Na-2H]- 329.148266 176.9
[M]+ 308.17305142 175.5
[M]- 308.17414858 175.5
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.