CID 6433448

5739-83-3

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(C)(/C=C/C(=O)OC)O
InChI
InChI=1S/C7H12O3/c1-7(2,9)5-4-6(8)10-3/h4-5,9H,1-3H3/b5-4+
InChIKey
GIWZMQDOFIGDGO-SNAWJCMRSA-N
Compound name
methyl (E)-4-hydroxy-4-methylpent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.1
[M+Na]+ 167.06786 137.5
[M-H]- 143.07136 129.3
[M+NH4]+ 162.11246 151.2
[M+K]+ 183.04180 137.2
[M+H-H2O]+ 127.07590 126.4
[M+HCOO]- 189.07684 150.8
[M+CH3COO]- 203.09249 171.3
[M+Na-2H]- 165.05331 135.8
[M]+ 144.07809 131.6
[M]- 144.07919 131.6
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.