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

14
Patents

172.10994 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 139.0
[M+Na]+ 195.09916 150.7
[M+NH4]+ 190.14376 148.2
[M+K]+ 211.07310 146.6
[M-H]- 171.10266 147.3
[M+Na-2H]- 193.08461 146.1
[M]+ 172.10939 144.2
[M]- 172.11049 144.2
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