CID 5323652

Methyl tiglate

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C/C=C(\C)/C(=O)OC

InChI

InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+

InChIKey

YYJWBYNQJLBIGS-SNAWJCMRSA-N

Compound name

methyl (E)-2-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 1410
Patents: 114.06808 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	115.07536	123.6
[M+Na]+	137.05730	133.7
[M+NH4]+	132.10190	131.1
[M+K]+	153.03124	129.2
[M-H]-	113.06080	122.3
[M+Na-2H]-	135.04275	126.9
[M]+	114.06753	124.4
[M]-	114.06863	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe