CID 11137264

1575-71-9

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)C(CC=C)C(=O)O
InChI
InChI=1S/C8H14O2/c1-4-5-7(6(2)3)8(9)10/h4,6-7H,1,5H2,2-3H3,(H,9,10)
InChIKey
ALEBWLNVINEYCZ-UHFFFAOYSA-N
Compound name
2-propan-2-ylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

142.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 132.3
[M+Na]+ 165.088598 138.2
[M-H]- 141.092104 131.1
[M+NH4]+ 160.133203 153.1
[M+K]+ 181.062538 137.7
[M+H-H2O]+ 125.096640 128.0
[M+HCOO]- 187.097581 151.9
[M+CH3COO]- 201.113231 175.2
[M+Na-2H]- 163.074046 134.1
[M]+ 142.09883142 132.0
[M]- 142.09992858 132.0
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