CID 21264871

71500-40-8

Structural Information

Molecular Formula
C11H18N2O3
SMILES
COC1=C(C=C(C=C1)N)N(CCO)CCO
InChI
InChI=1S/C11H18N2O3/c1-16-11-3-2-9(12)8-10(11)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7,12H2,1H3
InChIKey
XQLSOIDBDQGCNO-UHFFFAOYSA-N
Compound name
2-[5-amino-N-(2-hydroxyethyl)-2-methoxyanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

226.13174 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 150.8
[M+Na]+ 249.120958 156.6
[M-H]- 225.124464 152.7
[M+NH4]+ 244.165563 167.7
[M+K]+ 265.094898 155.0
[M+H-H2O]+ 209.129000 144.0
[M+HCOO]- 271.129941 174.3
[M+CH3COO]- 285.145591 193.6
[M+Na-2H]- 247.106406 154.3
[M]+ 226.13119142 151.5
[M]- 226.13228858 151.5
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

patents stripe