CID 18625543

Methyl 3-cyclopropyl-3-methylbutanoate

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)(CC(=O)OC)C1CC1
InChI
InChI=1S/C9H16O2/c1-9(2,7-4-5-7)6-8(10)11-3/h7H,4-6H2,1-3H3
InChIKey
VLAPDKFWDLHLKN-UHFFFAOYSA-N
Compound name
methyl 3-cyclopropyl-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

156.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 135.3
[M+Na]+ 179.10426 143.8
[M-H]- 155.10776 140.0
[M+NH4]+ 174.14886 151.8
[M+K]+ 195.07820 142.6
[M+H-H2O]+ 139.11230 130.0
[M+HCOO]- 201.11324 156.7
[M+CH3COO]- 215.12889 181.6
[M+Na-2H]- 177.08971 140.9
[M]+ 156.11449 139.9
[M]- 156.11559 139.9
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