CID 84656

Einecs 238-875-8

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 143.7
[M+Na]+ 214.10497 148.5
[M-H]- 190.10847 142.2
[M+NH4]+ 209.14957 162.1
[M+K]+ 230.07891 149.0
[M+H-H2O]+ 174.11301 138.0
[M+HCOO]- 236.11395 165.5
[M+CH3COO]- 250.12960 183.6
[M+Na-2H]- 212.09042 146.8
[M]+ 191.11520 146.7
[M]- 191.11630 146.7
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