CID 88917

2,4,6-tris(dimethylamino)phenol

Structural Information

Molecular Formula
C12H21N3O
SMILES
CN(C)C1=CC(=C(C(=C1)N(C)C)O)N(C)C
InChI
InChI=1S/C12H21N3O/c1-13(2)9-7-10(14(3)4)12(16)11(8-9)15(5)6/h7-8,16H,1-6H3
InChIKey
KCAMLFCTSSYIFW-UHFFFAOYSA-N
Compound name
2,4,6-tris(dimethylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

937
Patents

223.16846 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.175736 153.2
[M+Na]+ 246.157678 159.6
[M-H]- 222.161184 160.3
[M+NH4]+ 241.202283 172.6
[M+K]+ 262.131618 160.9
[M+H-H2O]+ 206.165720 146.0
[M+HCOO]- 268.166661 180.0
[M+CH3COO]- 282.182311 208.7
[M+Na-2H]- 244.143126 155.7
[M]+ 223.16791142 156.4
[M]- 223.16900858 156.4
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