CID 27053

15120-99-7

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(=O)C1(C(O1)(C)C)C
InChI
InChI=1S/C7H12O2/c1-5(8)7(4)6(2,3)9-7/h1-4H3
InChIKey
WBHTXOSVODIGTN-UHFFFAOYSA-N
Compound name
1-(2,3,3-trimethyloxiran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

128.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 124.4
[M+Na]+ 151.072938 135.5
[M-H]- 127.076444 131.0
[M+NH4]+ 146.117543 144.7
[M+K]+ 167.046878 137.5
[M+H-H2O]+ 111.080980 121.6
[M+HCOO]- 173.081921 146.1
[M+CH3COO]- 187.097571 176.6
[M+Na-2H]- 149.058386 133.2
[M]+ 128.08317142 130.8
[M]- 128.08426858 130.8
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