CID 12676510

3,3-dimethylhex-5-enoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)(CC=C)CC(=O)O
InChI
InChI=1S/C8H14O2/c1-4-5-8(2,3)6-7(9)10/h4H,1,5-6H2,2-3H3,(H,9,10)
InChIKey
MBELKQCJRIUFEJ-UHFFFAOYSA-N
Compound name
3,3-dimethylhex-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

142.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.4
[M+Na]+ 165.088598 138.2
[M-H]- 141.092104 130.4
[M+NH4]+ 160.133203 152.5
[M+K]+ 181.062538 137.2
[M+H-H2O]+ 125.096640 127.7
[M+HCOO]- 187.097581 151.4
[M+CH3COO]- 201.113231 173.7
[M+Na-2H]- 163.074046 136.5
[M]+ 142.09883142 131.9
[M]- 142.09992858 131.9
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