CID 170914655

4-cyclobutyl-3-methylbutanal

Structural Information

Molecular Formula
C9H16O
SMILES
CC(CC=O)CC1CCC1
InChI
InChI=1S/C9H16O/c1-8(5-6-10)7-9-3-2-4-9/h6,8-9H,2-5,7H2,1H3
InChIKey
ODAHKWKAAFSZMB-UHFFFAOYSA-N
Compound name
4-cyclobutyl-3-methylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 130.8
[M+Na]+ 163.109338 135.3
[M-H]- 139.112844 133.9
[M+NH4]+ 158.153943 145.9
[M+K]+ 179.083278 137.6
[M+H-H2O]+ 123.117380 120.8
[M+HCOO]- 185.118321 151.4
[M+CH3COO]- 199.133971 179.7
[M+Na-2H]- 161.094786 135.0
[M]+ 140.11957142 139.0
[M]- 140.12066858 139.0
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.