CID 6436311

2-pentenoic acid, 2-methyl-, ethyl ester

Structural Information

Molecular Formula
C8H14O2
SMILES
CC/C=C(\C)/C(=O)OCC
InChI
InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKey
HYQYCHQAUPHFKX-VOTSOKGWSA-N
Compound name
ethyl (E)-2-methylpent-2-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

84
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