CID 122240183

3-cyclobutyl-2,2-dimethylpropanal

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C)(CC1CCC1)C=O
InChI
InChI=1S/C9H16O/c1-9(2,7-10)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKey
JNZKOVGKOWBWDZ-UHFFFAOYSA-N
Compound name
3-cyclobutyl-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 129.6
[M+Na]+ 163.109338 134.8
[M-H]- 139.112844 132.9
[M+NH4]+ 158.153943 144.9
[M+K]+ 179.083278 137.0
[M+H-H2O]+ 123.117380 120.3
[M+HCOO]- 185.118321 149.7
[M+CH3COO]- 199.133971 179.2
[M+Na-2H]- 161.094786 135.7
[M]+ 140.11957142 138.1
[M]- 140.12066858 138.1
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.