CID 84656

2-[bis(2-hydroxyethyl)amino]ethyl acetate

Structural Information

Molecular Formula
C8H17NO4
SMILES
CC(=O)OCCN(CCO)CCO
InChI
InChI=1S/C8H17NO4/c1-8(12)13-7-4-9(2-5-10)3-6-11/h10-11H,2-7H2,1H3
InChIKey
COYBSBIBDYUILE-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

191.11575 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12303 143.1
[M+Na]+ 214.10497 149.9
[M+NH4]+ 209.14957 148.4
[M+K]+ 230.07891 146.9
[M-H]- 190.10847 140.5
[M+Na-2H]- 212.09042 144.0
[M]+ 191.11520 142.8
[M]- 191.11630 142.8
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

patents stripe