CID 522448

2-isopropyl-2-methyloxirane

Structural Information

Molecular Formula
C6H12O
SMILES
CC(C)C1(CO1)C
InChI
InChI=1S/C6H12O/c1-5(2)6(3)4-7-6/h5H,4H2,1-3H3
InChIKey
JATXAMXFNMUGBL-UHFFFAOYSA-N
Compound name
2-methyl-2-propan-2-yloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

100.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 119.8
[M+Na]+ 123.07803 129.5
[M-H]- 99.081534 125.9
[M+NH4]+ 118.12263 139.1
[M+K]+ 139.05197 131.2
[M+H-H2O]+ 83.086070 115.5
[M+HCOO]- 145.08701 141.9
[M+CH3COO]- 159.10266 171.8
[M+Na-2H]- 121.06348 128.6
[M]+ 100.08826 124.1
[M]- 100.08936 124.1
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