CID 95554

2-methylpropyl 2-ethylbutanoate

Structural Information

Molecular Formula
C10H20O2
SMILES
CCC(CC)C(=O)OCC(C)C
InChI
InChI=1S/C10H20O2/c1-5-9(6-2)10(11)12-7-8(3)4/h8-9H,5-7H2,1-4H3
InChIKey
SAWRJLRKAZYKPM-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-ethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

172.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 142.7
[M+Na]+ 195.13555 148.0
[M-H]- 171.13905 142.6
[M+NH4]+ 190.18015 163.2
[M+K]+ 211.10949 148.5
[M+H-H2O]+ 155.14359 137.8
[M+HCOO]- 217.14453 163.0
[M+CH3COO]- 231.16018 184.2
[M+Na-2H]- 193.12100 143.9
[M]+ 172.14578 145.7
[M]- 172.14688 145.7
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