CID 62308

3-methoxy-3-methylbutyl acetate

Structural Information

Molecular Formula
C8H16O3
SMILES
CC(=O)OCCC(C)(C)OC
InChI
InChI=1S/C8H16O3/c1-7(9)11-6-5-8(2,3)10-4/h5-6H2,1-4H3
InChIKey
RYNQKSJRFHJZTK-UHFFFAOYSA-N
Compound name
(3-methoxy-3-methylbutyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21778
Patents

160.10994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 135.3
[M+Na]+ 183.09916 142.4
[M-H]- 159.10266 135.7
[M+NH4]+ 178.14376 156.5
[M+K]+ 199.07310 143.3
[M+H-H2O]+ 143.10720 131.1
[M+HCOO]- 205.10814 157.0
[M+CH3COO]- 219.12379 178.7
[M+Na-2H]- 181.08461 141.0
[M]+ 160.10939 139.9
[M]- 160.11049 139.9
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