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]+ 157.122316 135.3
[M+Na]+ 179.104258 143.8
[M-H]- 155.107764 140.0
[M+NH4]+ 174.148863 151.8
[M+K]+ 195.078198 142.6
[M+H-H2O]+ 139.112300 130.0
[M+HCOO]- 201.113241 156.7
[M+CH3COO]- 215.128891 181.6
[M+Na-2H]- 177.089706 140.9
[M]+ 156.11449142 139.9
[M]- 156.11558858 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