CID 10920617

2,2,4-trimethylpent-4-enoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(=C)CC(C)(C)C(=O)O
InChI
InChI=1S/C8H14O2/c1-6(2)5-8(3,4)7(9)10/h1,5H2,2-4H3,(H,9,10)
InChIKey
XFVFEDRZGWLRRP-UHFFFAOYSA-N
Compound name
2,2,4-trimethylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

142.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.9
[M+Na]+ 165.088598 137.5
[M-H]- 141.092104 130.0
[M+NH4]+ 160.133203 151.9
[M+K]+ 181.062538 136.9
[M+H-H2O]+ 125.096640 127.3
[M+HCOO]- 187.097581 150.0
[M+CH3COO]- 201.113231 174.6
[M+Na-2H]- 163.074046 134.8
[M]+ 142.09883142 130.8
[M]- 142.09992858 130.8
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