CID 103042

Einecs 265-266-4

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
2
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]+ 234.133606 153.7
[M+Na]+ 256.115548 158.2
[M-H]- 232.119054 153.4
[M+NH4]+ 251.160153 171.1
[M+K]+ 272.089488 159.6
[M+H-H2O]+ 216.123590 147.5
[M+HCOO]- 278.124531 175.8
[M+CH3COO]- 292.140181 193.6
[M+Na-2H]- 254.100996 155.3
[M]+ 233.12578142 159.4
[M]- 233.12687858 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