CID 9855510

Methyl 2-hydroxy-3,3-dimethylbutanoate

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(C)(C)C(C(=O)OC)O
InChI
InChI=1S/C7H14O3/c1-7(2,3)5(8)6(9)10-4/h5,8H,1-4H3
InChIKey
YYAKMBGOMGURAY-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

146.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 131.3
[M+Na]+ 169.08352 138.2
[M-H]- 145.08702 130.6
[M+NH4]+ 164.12812 152.4
[M+K]+ 185.05746 139.0
[M+H-H2O]+ 129.09156 127.7
[M+HCOO]- 191.09250 150.8
[M+CH3COO]- 205.10815 173.2
[M+Na-2H]- 167.06897 135.7
[M]+ 146.09375 132.8
[M]- 146.09485 132.8
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