CID 106463

2,5-diethoxy-4-(1-pyrrolidinyl)aniline

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCOC1=CC(=C(C=C1N)OCC)N2CCCC2
InChI
InChI=1S/C14H22N2O2/c1-3-17-13-10-12(16-7-5-6-8-16)14(18-4-2)9-11(13)15/h9-10H,3-8,15H2,1-2H3
InChIKey
WFUPCNOZIBGAOF-UHFFFAOYSA-N
Compound name
2,5-diethoxy-4-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 158.9
[M+Na]+ 273.15734 165.1
[M-H]- 249.16084 163.6
[M+NH4]+ 268.20194 176.2
[M+K]+ 289.13128 162.4
[M+H-H2O]+ 233.16538 151.0
[M+HCOO]- 295.16632 180.7
[M+CH3COO]- 309.18197 197.0
[M+Na-2H]- 271.14279 159.8
[M]+ 250.16757 158.7
[M]- 250.16867 158.7
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

patents stripe