CID 3015276

Tris((dimethylamino)methyl)phenol

Structural Information

Molecular Formula
C15H27N3O
SMILES
CN(C)CC1=C(C(=C(C=C1)O)CN(C)C)CN(C)C
InChI
InChI=1S/C15H27N3O/c1-16(2)9-12-7-8-15(19)14(11-18(5)6)13(12)10-17(3)4/h7-8,19H,9-11H2,1-6H3
InChIKey
CIPOCPJRYUFXLL-UHFFFAOYSA-N
Compound name
2,3,4-tris[(dimethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6999
Patents

265.21542 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.22270 167.4
[M+Na]+ 288.20464 172.4
[M-H]- 264.20814 173.8
[M+NH4]+ 283.24924 185.0
[M+K]+ 304.17858 172.9
[M+H-H2O]+ 248.21268 159.5
[M+HCOO]- 310.21362 193.1
[M+CH3COO]- 324.22927 217.7
[M+Na-2H]- 286.19009 168.2
[M]+ 265.21487 171.6
[M]- 265.21597 171.6
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.