CID 7553

2,2'-((phenylmethyl)imino)bisethanol

Structural Information

Molecular Formula
C11H17NO2
SMILES
C1=CC=C(C=C1)CN(CCO)CCO
InChI
InChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKey
MIZIOHLLYXVEHJ-UHFFFAOYSA-N
Compound name
2-[benzyl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1961
Patents

195.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.5
[M+Na]+ 218.115148 149.3
[M-H]- 194.118654 146.2
[M+NH4]+ 213.159753 162.7
[M+K]+ 234.089088 147.5
[M+H-H2O]+ 178.123190 138.0
[M+HCOO]- 240.124131 167.3
[M+CH3COO]- 254.139781 184.5
[M+Na-2H]- 216.100596 150.1
[M]+ 195.12538142 144.7
[M]- 195.12647858 144.7
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