CID 11263965

Tert-butyl 3-(2-hydroxyethoxy)propanoate

Structural Information

Molecular Formula
C9H18O4
SMILES
CC(C)(C)OC(=O)CCOCCO
InChI
InChI=1S/C9H18O4/c1-9(2,3)13-8(11)4-6-12-7-5-10/h10H,4-7H2,1-3H3
InChIKey
ACWLDITVZGWIKA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-hydroxyethoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

190.12051 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.127786 143.9
[M+Na]+ 213.109728 150.1
[M-H]- 189.113234 142.7
[M+NH4]+ 208.154333 163.2
[M+K]+ 229.083668 150.4
[M+H-H2O]+ 173.117770 139.5
[M+HCOO]- 235.118711 163.9
[M+CH3COO]- 249.134361 180.4
[M+Na-2H]- 211.095176 148.5
[M]+ 190.11996142 148.3
[M]- 190.12105858 148.3
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