CID 98084

64058-38-4

Structural Information

Molecular Formula
C13H22O6
SMILES
CCCCOC(=O)OC(C)C(=O)OCC1CCCO1
InChI
InChI=1S/C13H22O6/c1-3-4-7-17-13(15)19-10(2)12(14)18-9-11-6-5-8-16-11/h10-11H,3-9H2,1-2H3
InChIKey
YMURBNOJOCMCNI-UHFFFAOYSA-N
Compound name
oxolan-2-ylmethyl 2-butoxycarbonyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.14163 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14891 165.3
[M+Na]+ 297.13085 168.5
[M-H]- 273.13435 168.1
[M+NH4]+ 292.17545 181.4
[M+K]+ 313.10479 170.4
[M+H-H2O]+ 257.13889 159.1
[M+HCOO]- 319.13983 184.1
[M+CH3COO]- 333.15548 195.3
[M+Na-2H]- 295.11630 164.8
[M]+ 274.14108 170.2
[M]- 274.14218 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe