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

3
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 170.9
[M+Na]+ 303.20432 175.6
[M-H]- 279.20782 174.2
[M+NH4]+ 298.24892 186.8
[M+K]+ 319.17826 174.2
[M+H-H2O]+ 263.21236 163.5
[M+HCOO]- 325.21330 193.5
[M+CH3COO]- 339.22895 211.7
[M+Na-2H]- 301.18977 171.2
[M]+ 280.21455 174.5
[M]- 280.21565 174.5
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.