CID 58142816

1-cyclopropyl-4-methylpentan-1-one

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C)CCC(=O)C1CC1
InChI
InChI=1S/C9H16O/c1-7(2)3-6-9(10)8-4-5-8/h7-8H,3-6H2,1-2H3
InChIKey
QSMSPYOWFQXCSS-UHFFFAOYSA-N
Compound name
1-cyclopropyl-4-methylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

140.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 131.5
[M+Na]+ 163.109338 139.4
[M-H]- 139.112844 136.0
[M+NH4]+ 158.153943 148.4
[M+K]+ 179.083278 137.9
[M+H-H2O]+ 123.117380 125.8
[M+HCOO]- 185.118321 153.4
[M+CH3COO]- 199.133971 180.9
[M+Na-2H]- 161.094786 135.4
[M]+ 140.11957142 134.6
[M]- 140.12066858 134.6
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

patents stripe