CID 14093550

Methyl 2-(hydroxymethyl)-2-methylbutanoate

Structural Information

Molecular Formula
C7H14O3
SMILES
CCC(C)(CO)C(=O)OC
InChI
InChI=1S/C7H14O3/c1-4-7(2,5-8)6(9)10-3/h8H,4-5H2,1-3H3
InChIKey
DLGFEWSAAUSZIJ-UHFFFAOYSA-N
Compound name
methyl 2-(hydroxymethyl)-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

532
Patents

146.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 131.5
[M+Na]+ 169.08352 140.4
[M+NH4]+ 164.12812 138.1
[M+K]+ 185.05746 137.0
[M-H]- 145.08702 128.9
[M+Na-2H]- 167.06897 133.9
[M]+ 146.09375 131.8
[M]- 146.09485 131.8
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