CID 67295

2,5-dibutoxyaniline

Structural Information

Molecular Formula
C14H23NO2
SMILES
CCCCOC1=CC(=C(C=C1)OCCCC)N
InChI
InChI=1S/C14H23NO2/c1-3-5-9-16-12-7-8-14(13(15)11-12)17-10-6-4-2/h7-8,11H,3-6,9-10,15H2,1-2H3
InChIKey
KGHVJZBVGOZVPN-UHFFFAOYSA-N
Compound name
2,5-dibutoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

237.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 157.2
[M+Na]+ 260.162098 163.4
[M-H]- 236.165604 160.0
[M+NH4]+ 255.206703 174.9
[M+K]+ 276.136038 161.0
[M+H-H2O]+ 220.170140 150.3
[M+HCOO]- 282.171081 181.0
[M+CH3COO]- 296.186731 197.0
[M+Na-2H]- 258.147546 160.5
[M]+ 237.17233142 160.9
[M]- 237.17342858 160.9
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.