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

49
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 126.7
[M+Na]+ 151.07294 134.0
[M-H]- 127.07644 125.9
[M+NH4]+ 146.11754 148.3
[M+K]+ 167.04688 133.1
[M+H-H2O]+ 111.08098 123.2
[M+HCOO]- 173.08192 147.1
[M+CH3COO]- 187.09757 170.7
[M+Na-2H]- 149.05839 132.3
[M]+ 128.08317 126.9
[M]- 128.08427 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