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

48
Patents

128.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 126.7
[M+Na]+ 151.072938 134.0
[M-H]- 127.076444 125.9
[M+NH4]+ 146.117543 148.3
[M+K]+ 167.046878 133.1
[M+H-H2O]+ 111.080980 123.2
[M+HCOO]- 173.081921 147.1
[M+CH3COO]- 187.097571 170.7
[M+Na-2H]- 149.058386 132.3
[M]+ 128.08317142 126.9
[M]- 128.08426858 126.9
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