CID 90990

Isobutyloxirane

Structural Information

Molecular Formula
C6H12O
SMILES
CC(C)CC1CO1
InChI
InChI=1S/C6H12O/c1-5(2)3-6-4-7-6/h5-6H,3-4H2,1-2H3
InChIKey
YXIOECOAAMLHPG-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

706
Patents

100.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.1
[M+Na]+ 123.07803 132.8
[M+NH4]+ 118.12263 129.7
[M+K]+ 139.05197 129.2
[M-H]- 99.081534 129.6
[M+Na-2H]- 121.06348 128.0
[M]+ 100.08826 125.7
[M]- 100.08936 125.7
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