CID 81788

7336-27-8

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)CCOC(=O)C(=C)C
InChI
InChI=1S/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h7H,3,5-6H2,1-2,4H3
InChIKey
ULYIFEQRRINMJQ-UHFFFAOYSA-N
Compound name
3-methylbutyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9928
Patents

156.11504 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 136.1
[M+Na]+ 179.10426 142.2
[M-H]- 155.10776 136.3
[M+NH4]+ 174.14886 157.2
[M+K]+ 195.07820 142.3
[M+H-H2O]+ 139.11230 131.5
[M+HCOO]- 201.11324 156.9
[M+CH3COO]- 215.12889 180.3
[M+Na-2H]- 177.08971 138.0
[M]+ 156.11449 138.1
[M]- 156.11559 138.1
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