CID 21149611

Ns00061322

Structural Information

Molecular Formula
C15H26N2O
SMILES
CC1=C(C(=C(C=C1)O)CNCCCCCCN)C
InChI
InChI=1S/C15H26N2O/c1-12-7-8-15(18)14(13(12)2)11-17-10-6-4-3-5-9-16/h7-8,17-18H,3-6,9-11,16H2,1-2H3
InChIKey
VSYBJJHDKLKCLK-UHFFFAOYSA-N
Compound name
2-[(6-aminohexylamino)methyl]-3,4-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.20451 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.211786 162.7
[M+Na]+ 273.193728 168.1
[M-H]- 249.197234 164.1
[M+NH4]+ 268.238333 179.1
[M+K]+ 289.167668 164.0
[M+H-H2O]+ 233.201770 155.8
[M+HCOO]- 295.202711 185.3
[M+CH3COO]- 309.218361 201.7
[M+Na-2H]- 271.179176 164.5
[M]+ 250.20396142 162.9
[M]- 250.20505858 162.9
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.