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
1
Annotation Hits

0
References

9
Patents

142.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.9
[M+Na]+ 165.08860 137.5
[M-H]- 141.09210 130.0
[M+NH4]+ 160.13320 151.9
[M+K]+ 181.06254 136.9
[M+H-H2O]+ 125.09664 127.3
[M+HCOO]- 187.09758 150.0
[M+CH3COO]- 201.11323 174.6
[M+Na-2H]- 163.07405 134.8
[M]+ 142.09883 130.8
[M]- 142.09993 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