CID 14793166

2-ethyl-2-methylbut-3-enoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CCC(C)(C=C)C(=O)O
InChI
InChI=1S/C7H12O2/c1-4-7(3,5-2)6(8)9/h4H,1,5H2,2-3H3,(H,8,9)
InChIKey
GLMCSCIKQIWYCQ-UHFFFAOYSA-N
Compound name
2-ethyl-2-methylbut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

128.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.9
[M+Na]+ 151.07294 137.3
[M+NH4]+ 146.11754 134.8
[M+K]+ 167.04688 133.3
[M-H]- 127.07644 125.6
[M+Na-2H]- 149.05839 130.6
[M]+ 128.08317 128.3
[M]- 128.08427 128.3
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