CID 166342

Buten-2-yl (3-methylbutoxy)acetate

Structural Information

Molecular Formula
C11H20O3
SMILES
CC=CCOC(=O)COCCC(C)C
InChI
InChI=1S/C11H20O3/c1-4-5-7-14-11(12)9-13-8-6-10(2)3/h4-5,10H,6-9H2,1-3H3
InChIKey
HAQZXWILUDCVSQ-UHFFFAOYSA-N
Compound name
but-2-enyl 2-(3-methylbutoxy)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

200.14125 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 148.8
[M+Na]+ 223.13047 154.3
[M-H]- 199.13397 148.5
[M+NH4]+ 218.17507 168.2
[M+K]+ 239.10441 153.9
[M+H-H2O]+ 183.13851 143.5
[M+HCOO]- 245.13945 170.2
[M+CH3COO]- 259.15510 186.7
[M+Na-2H]- 221.11592 150.8
[M]+ 200.14070 153.5
[M]- 200.14180 153.5
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

No patent data available for this compound.