CID 546207

2-methylpropyl 3-hydroxy-2-methylidenebutanoate

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)COC(=O)C(=C)C(C)O
InChI
InChI=1S/C9H16O3/c1-6(2)5-12-9(11)7(3)8(4)10/h6,8,10H,3,5H2,1-2,4H3
InChIKey
YWLLUDSCDSOEDO-UHFFFAOYSA-N
Compound name
2-methylpropyl 3-hydroxy-2-methylidenebutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 139.9
[M+Na]+ 195.099158 145.3
[M-H]- 171.102664 138.6
[M+NH4]+ 190.143763 159.4
[M+K]+ 211.073098 145.4
[M+H-H2O]+ 155.107200 135.3
[M+HCOO]- 217.108141 158.4
[M+CH3COO]- 231.123791 180.5
[M+Na-2H]- 193.084606 139.9
[M]+ 172.10939142 140.7
[M]- 172.11048858 140.7
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