CID 16063805

319002-92-1

Structural Information

Molecular Formula
C11H22O3
SMILES
CCCOC(=O)[C@H](C)OC(C)(C)CC
InChI
InChI=1S/C11H22O3/c1-6-8-13-10(12)9(3)14-11(4,5)7-2/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKey
KPUAQAYQMYWKBV-VIFPVBQESA-N
Compound name
propyl (2S)-2-(2-methylbutan-2-yloxy)propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

421
Patents

202.15689 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 149.1
[M+Na]+ 225.14611 154.7
[M-H]- 201.14961 149.1
[M+NH4]+ 220.19071 168.6
[M+K]+ 241.12005 155.4
[M+H-H2O]+ 185.15415 144.5
[M+HCOO]- 247.15509 168.8
[M+CH3COO]- 261.17074 188.6
[M+Na-2H]- 223.13156 152.0
[M]+ 202.15634 154.2
[M]- 202.15744 154.2
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