CID 59779883

(oxolan-2-yl)methyl 2-methylbutanoate

Structural Information

Molecular Formula
C10H18O3
SMILES
CCC(C)C(=O)OCC1CCCO1
InChI
InChI=1S/C10H18O3/c1-3-8(2)10(11)13-7-9-5-4-6-12-9/h8-9H,3-7H2,1-2H3
InChIKey
IVFCTOQBFINRSN-UHFFFAOYSA-N
Compound name
oxolan-2-ylmethyl 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

186.1256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 144.5
[M+Na]+ 209.11482 149.1
[M-H]- 185.11832 147.8
[M+NH4]+ 204.15942 164.4
[M+K]+ 225.08876 150.3
[M+H-H2O]+ 169.12286 139.1
[M+HCOO]- 231.12380 164.4
[M+CH3COO]- 245.13945 181.3
[M+Na-2H]- 207.10027 146.4
[M]+ 186.12505 145.4
[M]- 186.12615 145.4
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