CID 23183642

2-ethoxy-3-methylbutanoic acid

Structural Information

Molecular Formula
C7H14O3
SMILES
CCOC(C(C)C)C(=O)O
InChI
InChI=1S/C7H14O3/c1-4-10-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
InChIKey
CXAZWYHOXPIWOA-UHFFFAOYSA-N
Compound name
2-ethoxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

146.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 131.9
[M+Na]+ 169.08352 140.4
[M+NH4]+ 164.12812 138.4
[M+K]+ 185.05746 137.4
[M-H]- 145.08702 129.6
[M+Na-2H]- 167.06897 133.6
[M]+ 146.09375 132.0
[M]- 146.09485 132.0
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