CID 13684685

Cyclopropanecarboxylic acid, 1-methylpropyl ester

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC(C)OC(=O)C1CC1
InChI
InChI=1S/C8H14O2/c1-3-6(2)10-8(9)7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKey
NKAYULLAAWREDC-UHFFFAOYSA-N
Compound name
butan-2-yl cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

142.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.4
[M+Na]+ 165.08860 142.6
[M+NH4]+ 160.13320 139.9
[M+K]+ 181.06254 139.4
[M-H]- 141.09210 138.6
[M+Na-2H]- 163.07405 138.1
[M]+ 142.09883 135.9
[M]- 142.09993 135.9
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