CID 3014523

Ethyl 4-methyl-3-pentenoate

Structural Information

Molecular Formula
C8H14O2
SMILES
CCOC(=O)CC=C(C)C
InChI
InChI=1S/C8H14O2/c1-4-10-8(9)6-5-7(2)3/h5H,4,6H2,1-3H3
InChIKey
YBUMUFVIEWSXLA-UHFFFAOYSA-N
Compound name
ethyl 4-methylpent-3-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25
Patents

142.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.7
[M+Na]+ 165.08860 138.4
[M-H]- 141.09210 132.0
[M+NH4]+ 160.13320 153.5
[M+K]+ 181.06254 138.4
[M+H-H2O]+ 125.09664 127.2
[M+HCOO]- 187.09758 153.8
[M+CH3COO]- 201.11323 175.7
[M+Na-2H]- 163.07405 135.3
[M]+ 142.09883 133.8
[M]- 142.09993 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe