CID 92174

3,3-dimethyl-1,2-epoxybutane

Structural Information

Molecular Formula
C6H12O
SMILES
CC(C)(C)C1CO1
InChI
InChI=1S/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3
InChIKey
HEAYDCIZOFDHRM-UHFFFAOYSA-N
Compound name
2-tert-butyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1571
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 119.7
[M+Na]+ 123.07803 129.5
[M-H]- 99.081534 125.6
[M+NH4]+ 118.12263 137.4
[M+K]+ 139.05197 130.2
[M+H-H2O]+ 83.086070 114.7
[M+HCOO]- 145.08701 141.7
[M+CH3COO]- 159.10266 171.1
[M+Na-2H]- 121.06348 129.2
[M]+ 100.08826 123.7
[M]- 100.08936 123.7
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