CID 20498

3-methoxybutyl acetate

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

1
References

33840
Patents

146.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 131.5
[M+Na]+ 169.083518 138.2
[M-H]- 145.087024 131.8
[M+NH4]+ 164.128123 153.0
[M+K]+ 185.057458 139.5
[M+H-H2O]+ 129.091560 126.8
[M+HCOO]- 191.092501 154.0
[M+CH3COO]- 205.108151 176.3
[M+Na-2H]- 167.068966 135.6
[M]+ 146.09375142 135.5
[M]- 146.09484858 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