CID 11208

Isobutylene oxide

Structural Information

Molecular Formula
C4H8O
SMILES
CC1(CO1)C
InChI
InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
InChIKey
GELKGHVAFRCJNA-UHFFFAOYSA-N
Compound name
2,2-dimethyloxirane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

20
References

17942
Patents

72.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 111.6
[M+Na]+ 95.046738 122.3
[M-H]- 71.050244 117.8
[M+NH4]+ 90.091343 131.9
[M+K]+ 111.02068 124.1
[M+H-H2O]+ 55.054780 107.4
[M+HCOO]- 117.05572 135.2
[M+CH3COO]- 131.07137 165.2
[M+Na-2H]- 93.032186 122.5
[M]+ 72.056971 115.7
[M]- 72.058069 115.7
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