CID 103042

64897-90-1

Structural Information

Molecular Formula
C10H19NO5
SMILES
CC(=O)OCCN(CCO)CCOC(=O)C
InChI
InChI=1S/C10H19NO5/c1-9(13)15-7-4-11(3-6-12)5-8-16-10(2)14/h12H,3-8H2,1-2H3
InChIKey
NBNYBDWTJKPKGR-UHFFFAOYSA-N
Compound name
2-[2-acetyloxyethyl(2-hydroxyethyl)amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

233.12633 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 153.7
[M+Na]+ 256.11555 158.2
[M-H]- 232.11905 153.4
[M+NH4]+ 251.16015 171.1
[M+K]+ 272.08949 159.6
[M+H-H2O]+ 216.12359 147.5
[M+HCOO]- 278.12453 175.8
[M+CH3COO]- 292.14018 193.6
[M+Na-2H]- 254.10100 155.3
[M]+ 233.12578 159.4
[M]- 233.12688 159.4
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