CID 24075

7487-28-7

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1(CO1)COCC2(CO2)C
InChI
InChI=1S/C8H14O3/c1-7(5-10-7)3-9-4-8(2)6-11-8/h3-6H2,1-2H3
InChIKey
FPFZKFZYQYTAHO-UHFFFAOYSA-N
Compound name
2-methyl-2-[(2-methyloxiran-2-yl)methoxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1522
Patents

158.0943 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 145.7
[M+Na]+ 181.08352 153.8
[M-H]- 157.08702 154.7
[M+NH4]+ 176.12812 156.2
[M+K]+ 197.05746 158.8
[M+H-H2O]+ 141.09156 141.4
[M+HCOO]- 203.09250 163.2
[M+CH3COO]- 217.10815 189.2
[M+Na-2H]- 179.06897 153.6
[M]+ 158.09375 154.7
[M]- 158.09485 154.7
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