CID 79418013

4-methoxy-2,3-dimethylbutanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 132.2
[M+Na]+ 169.08352 138.2
[M-H]- 145.08702 131.2
[M+NH4]+ 164.12812 152.9
[M+K]+ 185.05746 139.0
[M+H-H2O]+ 129.09156 127.8
[M+HCOO]- 191.09250 152.2
[M+CH3COO]- 205.10815 175.2
[M+Na-2H]- 167.06897 134.5
[M]+ 146.09375 133.7
[M]- 146.09485 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

No patent data available for this compound.