CID 21159

Tetramethyloxirane

Structural Information

Molecular Formula
C6H12O
SMILES
CC1(C(O1)(C)C)C
InChI
InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3
InChIKey
SYQIWVMFOAHDMK-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethyloxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1343
Patents

100.08881 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 117.9
[M+Na]+ 123.07803 129.3
[M-H]- 99.081534 124.6
[M+NH4]+ 118.12263 139.4
[M+K]+ 139.05197 131.5
[M+H-H2O]+ 83.086070 115.0
[M+HCOO]- 145.08701 140.5
[M+CH3COO]- 159.10266 171.9
[M+Na-2H]- 121.06348 128.4
[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