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

264
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 143.9
[M+Na]+ 213.10973 150.1
[M-H]- 189.11323 142.7
[M+NH4]+ 208.15433 163.2
[M+K]+ 229.08367 150.4
[M+H-H2O]+ 173.11777 139.5
[M+HCOO]- 235.11871 163.9
[M+CH3COO]- 249.13436 180.4
[M+Na-2H]- 211.09518 148.5
[M]+ 190.11996 148.3
[M]- 190.12106 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