CID 103892

Phenol, 2(or 4)-[[bis(2-hydroxyethyl)amino]methyl]-

Structural Information

Molecular Formula
C11H17NO3
SMILES
C1=CC=C(C(=C1)CN(CCO)CCO)O
InChI
InChI=1S/C11H17NO3/c13-7-5-12(6-8-14)9-10-3-1-2-4-11(10)15/h1-4,13-15H,5-9H2
InChIKey
HELHBQQQHPNNME-UHFFFAOYSA-N
Compound name
2-[[bis(2-hydroxyethyl)amino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

211.12085 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 147.4
[M+Na]+ 234.11007 152.7
[M-H]- 210.11357 148.1
[M+NH4]+ 229.15467 164.5
[M+K]+ 250.08401 150.6
[M+H-H2O]+ 194.11811 141.2
[M+HCOO]- 256.11905 169.0
[M+CH3COO]- 270.13470 185.2
[M+Na-2H]- 232.09552 151.9
[M]+ 211.12030 147.6
[M]- 211.12140 147.6
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