CID 51132

2-methoxypropyl acetate

Structural Information

Molecular Formula
C6H12O3
SMILES
CC(COC(=O)C)OC
InChI
InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3
InChIKey
BTZVKSVLFLRBRE-UHFFFAOYSA-N
Compound name
2-methoxypropyl acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

2780
Patents

132.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 126.7
[M+Na]+ 155.06786 133.9
[M-H]- 131.07136 127.2
[M+NH4]+ 150.11246 148.8
[M+K]+ 171.04180 135.4
[M+H-H2O]+ 115.07590 122.2
[M+HCOO]- 177.07684 149.5
[M+CH3COO]- 191.09249 173.2
[M+Na-2H]- 153.05331 131.4
[M]+ 132.07809 130.3
[M]- 132.07919 130.3
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