CID 171378

54839-24-6

Structural Information

Molecular Formula
C7H14O3
SMILES
CCOCC(C)OC(=O)C
InChI
InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3
InChIKey
LIPRQQHINVWJCH-UHFFFAOYSA-N
Compound name
1-ethoxypropan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

63452
Patents

146.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 131.5
[M+Na]+ 169.08352 138.2
[M-H]- 145.08702 131.8
[M+NH4]+ 164.12812 153.0
[M+K]+ 185.05746 139.5
[M+H-H2O]+ 129.09156 126.8
[M+HCOO]- 191.09250 154.0
[M+CH3COO]- 205.10815 176.3
[M+Na-2H]- 167.06897 135.6
[M]+ 146.09375 135.5
[M]- 146.09485 135.5
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