CID 98155

(isobutoxymethyl)oxirane

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(C)COCC1CO1
InChI
InChI=1S/C7H14O2/c1-6(2)3-8-4-7-5-9-7/h6-7H,3-5H2,1-2H3
InChIKey
AQKDMKKMCVJJTC-UHFFFAOYSA-N
Compound name
2-(2-methylpropoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2728
Patents

130.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 128.3
[M+Na]+ 153.08860 137.0
[M-H]- 129.09210 133.7
[M+NH4]+ 148.13320 144.5
[M+K]+ 169.06254 137.7
[M+H-H2O]+ 113.09664 122.3
[M+HCOO]- 175.09758 150.7
[M+CH3COO]- 189.11323 177.0
[M+Na-2H]- 151.07405 135.4
[M]+ 130.09883 134.0
[M]- 130.09993 134.0
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