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

424
Patents

202.15689 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.164166 149.1
[M+Na]+ 225.146108 154.7
[M-H]- 201.149614 149.1
[M+NH4]+ 220.190713 168.6
[M+K]+ 241.120048 155.4
[M+H-H2O]+ 185.154150 144.5
[M+HCOO]- 247.155091 168.8
[M+CH3COO]- 261.170741 188.6
[M+Na-2H]- 223.131556 152.0
[M]+ 202.15634142 154.2
[M]- 202.15743858 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