CID 51621

Methyl 3-sec-butyl-3-methylglycidate

Structural Information

Molecular Formula
C9H16O3
SMILES
CCC(C)C1(C(O1)C(=O)OC)C
InChI
InChI=1S/C9H16O3/c1-5-6(2)9(3)7(12-9)8(10)11-4/h6-7H,5H2,1-4H3
InChIKey
YXFJXZHEINXRQW-UHFFFAOYSA-N
Compound name
methyl 3-butan-2-yl-3-methyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

172.10994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 137.7
[M+Na]+ 195.099158 147.2
[M-H]- 171.102664 143.6
[M+NH4]+ 190.143763 154.3
[M+K]+ 211.073098 148.3
[M+H-H2O]+ 155.107200 133.2
[M+HCOO]- 217.108141 158.4
[M+CH3COO]- 231.123791 184.7
[M+Na-2H]- 193.084606 143.1
[M]+ 172.10939142 145.1
[M]- 172.11048858 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe