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]+ 141.12740 130.8
[M+Na]+ 163.10934 135.3
[M-H]- 139.11284 133.9
[M+NH4]+ 158.15394 145.9
[M+K]+ 179.08328 137.6
[M+H-H2O]+ 123.11738 120.8
[M+HCOO]- 185.11832 151.4
[M+CH3COO]- 199.13397 179.7
[M+Na-2H]- 161.09479 135.0
[M]+ 140.11957 139.0
[M]- 140.12067 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.