CID 13929101

(2e)-3,4,4-trimethylpent-2-enoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
C/C(=C\C(=O)O)/C(C)(C)C
InChI
InChI=1S/C8H14O2/c1-6(5-7(9)10)8(2,3)4/h5H,1-4H3,(H,9,10)/b6-5+
InChIKey
NFLSFCFOAOZXFO-AATRIKPKSA-N
Compound name
(E)-3,4,4-trimethylpent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

142.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.2
[M+Na]+ 165.088598 138.1
[M-H]- 141.092104 130.5
[M+NH4]+ 160.133203 152.5
[M+K]+ 181.062538 137.5
[M+H-H2O]+ 125.096640 127.8
[M+HCOO]- 187.097581 150.4
[M+CH3COO]- 201.113231 173.2
[M+Na-2H]- 163.074046 135.1
[M]+ 142.09883142 131.0
[M]- 142.09992858 131.0
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