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

249
Patents

190.12051 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12779 143.2
[M+Na]+ 213.10973 151.1
[M+NH4]+ 208.15433 148.8
[M+K]+ 229.08367 147.9
[M-H]- 189.11323 140.0
[M+Na-2H]- 211.09518 144.5
[M]+ 190.11996 143.0
[M]- 190.12106 143.0
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