CID 10397077

52561-72-5

Structural Information

Molecular Formula
C8H14O3
SMILES
CC(C)(C)C(=O)OCC1CO1
InChI
InChI=1S/C8H14O3/c1-8(2,3)7(9)11-5-6-4-10-6/h6H,4-5H2,1-3H3
InChIKey
CBLGECFNLBWONR-UHFFFAOYSA-N
Compound name
oxiran-2-ylmethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

422
Patents

158.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 134.5
[M+Na]+ 181.083518 143.5
[M-H]- 157.087024 140.1
[M+NH4]+ 176.128123 149.7
[M+K]+ 197.057458 144.0
[M+H-H2O]+ 141.091560 129.1
[M+HCOO]- 203.092501 155.4
[M+CH3COO]- 217.108151 179.9
[M+Na-2H]- 179.068966 141.7
[M]+ 158.09375142 140.7
[M]- 158.09484858 140.7
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