CID 33692

Brn 2377819

Structural Information

Molecular Formula
C16H28N2O
SMILES
CCN(CC)CCCOCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C16H28N2O/c1-3-18(4-2)12-6-14-19-13-5-7-15-8-10-16(17)11-9-15/h8-11H,3-7,12-14,17H2,1-2H3
InChIKey
BGIZQRITMOGZDI-UHFFFAOYSA-N
Compound name
4-[3-[3-(diethylamino)propoxy]propyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.22015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 167.7
[M+Na]+ 287.20937 171.4
[M-H]- 263.21287 171.0
[M+NH4]+ 282.25397 184.3
[M+K]+ 303.18331 169.2
[M+H-H2O]+ 247.21741 159.7
[M+HCOO]- 309.21835 192.0
[M+CH3COO]- 323.23400 208.2
[M+Na-2H]- 285.19482 170.1
[M]+ 264.21960 170.7
[M]- 264.22070 170.7
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

No patent data available for this compound.