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 137.7
[M+Na]+ 195.09916 147.2
[M-H]- 171.10266 143.6
[M+NH4]+ 190.14376 154.3
[M+K]+ 211.07310 148.3
[M+H-H2O]+ 155.10720 133.2
[M+HCOO]- 217.10814 158.4
[M+CH3COO]- 231.12379 184.7
[M+Na-2H]- 193.08461 143.1
[M]+ 172.10939 145.1
[M]- 172.11049 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