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

23
Patents

146.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 132.2
[M+Na]+ 169.083518 138.2
[M-H]- 145.087024 131.2
[M+NH4]+ 164.128123 152.9
[M+K]+ 185.057458 139.0
[M+H-H2O]+ 129.091560 127.8
[M+HCOO]- 191.092501 152.2
[M+CH3COO]- 205.108151 175.2
[M+Na-2H]- 167.068966 134.5
[M]+ 146.09375142 133.7
[M]- 146.09484858 133.7
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