CID 96433

Dimethylketene dimer

Structural Information

Molecular Formula
C8H12O2
SMILES
CC(=C1C(C(=O)O1)(C)C)C
InChI
InChI=1S/C8H12O2/c1-5(2)6-8(3,4)7(9)10-6/h1-4H3
InChIKey
OKAAPXFKYOTAEN-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-propan-2-ylideneoxetan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

140.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 125.1
[M+Na]+ 163.07294 132.9
[M-H]- 139.07644 130.3
[M+NH4]+ 158.11754 141.6
[M+K]+ 179.04688 136.4
[M+H-H2O]+ 123.08098 117.4
[M+HCOO]- 185.08192 145.6
[M+CH3COO]- 199.09757 178.9
[M+Na-2H]- 161.05839 130.9
[M]+ 140.08317 135.3
[M]- 140.08427 135.3
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

No patent data available for this compound.