CID 98789

34876-10-3

Structural Information

Molecular Formula
C10H14O3
SMILES
CC(=CC(=O)OC(=O)C=C(C)C)C
InChI
InChI=1S/C10H14O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h5-6H,1-4H3
InChIKey
YQEIMEGRSTXEMX-UHFFFAOYSA-N
Compound name
3-methylbut-2-enoyl 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

182.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 142.7
[M+Na]+ 205.08352 151.0
[M+NH4]+ 200.12812 148.2
[M+K]+ 221.05746 147.6
[M-H]- 181.08702 139.8
[M+Na-2H]- 203.06897 143.5
[M]+ 182.09375 142.5
[M]- 182.09485 142.5
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

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