CID 79445759

1559136-73-0

Structural Information

Molecular Formula
C9H16O
SMILES
CCC(C)C(=O)C1CC1C
InChI
InChI=1S/C9H16O/c1-4-6(2)9(10)8-5-7(8)3/h6-8H,4-5H2,1-3H3
InChIKey
CZLZHOIZWUAXFT-UHFFFAOYSA-N
Compound name
2-methyl-1-(2-methylcyclopropyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 130.8
[M+Na]+ 163.10934 142.6
[M+NH4]+ 158.15394 139.7
[M+K]+ 179.08328 139.0
[M-H]- 139.11284 138.5
[M+Na-2H]- 161.09479 137.7
[M]+ 140.11957 135.6
[M]- 140.12067 135.6
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

No patent data available for this compound.