CID 218057

40066-89-5

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC(=O)OCCN(C)CCO
InChI
InChI=1S/C7H15NO3/c1-7(10)11-6-4-8(2)3-5-9/h9H,3-6H2,1-2H3
InChIKey
REHZYESPJYNTEZ-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(methyl)amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

161.1052 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 136.0
[M+Na]+ 184.094418 141.8
[M-H]- 160.097924 136.2
[M+NH4]+ 179.139023 156.5
[M+K]+ 200.068358 143.0
[M+H-H2O]+ 144.102460 130.7
[M+HCOO]- 206.103401 159.4
[M+CH3COO]- 220.119051 181.1
[M+Na-2H]- 182.079866 140.2
[M]+ 161.10465142 139.1
[M]- 161.10574858 139.1
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