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

5376
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

literature stripe

Patent stripe

patents stripe