CID 45286

63917-49-7

Structural Information

Molecular Formula
C12H22O4
SMILES
CCCCCC1(OCC(O1)COC(=O)C)C
InChI
InChI=1S/C12H22O4/c1-4-5-6-7-12(3)15-9-11(16-12)8-14-10(2)13/h11H,4-9H2,1-3H3
InChIKey
SRVZUFBIUWFSMG-UHFFFAOYSA-N
Compound name
(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.15181 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.159086 153.4
[M+Na]+ 253.141028 159.2
[M-H]- 229.144534 157.5
[M+NH4]+ 248.185633 172.6
[M+K]+ 269.114968 161.0
[M+H-H2O]+ 213.149070 149.0
[M+HCOO]- 275.150011 172.9
[M+CH3COO]- 289.165661 189.4
[M+Na-2H]- 251.126476 157.4
[M]+ 230.15126142 158.5
[M]- 230.15235858 158.5
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.