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

82
Patents

142.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.3
[M+Na]+ 165.08860 138.2
[M-H]- 141.09210 131.1
[M+NH4]+ 160.13320 153.1
[M+K]+ 181.06254 137.7
[M+H-H2O]+ 125.09664 128.0
[M+HCOO]- 187.09758 151.9
[M+CH3COO]- 201.11323 175.2
[M+Na-2H]- 163.07405 134.1
[M]+ 142.09883 132.0
[M]- 142.09993 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