CID 21117879

Db-215401

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC1=C(C=CC=C1O)N(CCO)CCO
InChI
InChI=1S/C11H17NO3/c1-9-10(3-2-4-11(9)15)12(5-7-13)6-8-14/h2-4,13-15H,5-8H2,1H3
InChIKey
LWIZASRUTGFHBI-UHFFFAOYSA-N
Compound name
3-[bis(2-hydroxyethyl)amino]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 147.3
[M+Na]+ 234.110068 153.5
[M-H]- 210.113574 148.3
[M+NH4]+ 229.154673 164.7
[M+K]+ 250.084008 151.4
[M+H-H2O]+ 194.118110 141.3
[M+HCOO]- 256.119051 168.8
[M+CH3COO]- 270.134701 186.5
[M+Na-2H]- 232.095516 151.0
[M]+ 211.12030142 147.8
[M]- 211.12139858 147.8
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.