CID 103226

65121-95-1

Structural Information

Molecular Formula
C8H15NO4
SMILES
CC(=O)OCCNCCOC(=O)C
InChI
InChI=1S/C8H15NO4/c1-7(10)12-5-3-9-4-6-13-8(2)11/h9H,3-6H2,1-2H3
InChIKey
JYGXQTZBIRNFBN-UHFFFAOYSA-N
Compound name
2-(2-acetyloxyethylamino)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

536
Patents

189.10011 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 141.8
[M+Na]+ 212.08933 147.4
[M-H]- 188.09283 141.8
[M+NH4]+ 207.13393 161.0
[M+K]+ 228.06327 148.2
[M+H-H2O]+ 172.09737 136.1
[M+HCOO]- 234.09831 165.3
[M+CH3COO]- 248.11396 184.6
[M+Na-2H]- 210.07478 145.5
[M]+ 189.09956 145.9
[M]- 189.10066 145.9
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