CID 66314

Oxirane, 3-butenyl-

Structural Information

Molecular Formula
C6H10O
SMILES
C=CCCC1CO1
InChI
InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2
InChIKey
MUUOUUYKIVSIAR-UHFFFAOYSA-N
Compound name
2-but-3-enyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10313
Patents

98.073166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 119.3
[M+Na]+ 121.06238 128.9
[M-H]- 97.065890 124.9
[M+NH4]+ 116.10699 136.7
[M+K]+ 137.03632 128.7
[M+H-H2O]+ 81.070426 113.7
[M+HCOO]- 143.07137 142.9
[M+CH3COO]- 157.08702 170.6
[M+Na-2H]- 119.04783 128.2
[M]+ 98.072617 123.1
[M]- 98.073715 123.1
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