CID 94986

5424-68-0

Structural Information

Molecular Formula
C16H28N2O2
SMILES
CCN(CC)CC1=CC(=C(C=C1O)CN(CC)CC)O
InChI
InChI=1S/C16H28N2O2/c1-5-17(6-2)11-13-9-16(20)14(10-15(13)19)12-18(7-3)8-4/h9-10,19-20H,5-8,11-12H2,1-4H3
InChIKey
NVTLOLOYAHYCBL-UHFFFAOYSA-N
Compound name
2,5-bis(diethylaminomethyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

280.2151 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22238 170.4
[M+Na]+ 303.20432 179.8
[M+NH4]+ 298.24892 177.0
[M+K]+ 319.17826 174.1
[M-H]- 279.20782 172.7
[M+Na-2H]- 301.18977 174.3
[M]+ 280.21455 172.1
[M]- 280.21565 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe