CID 545539

2,2-diethylbutanal

Structural Information

Molecular Formula
C8H16O
SMILES
CCC(CC)(CC)C=O
InChI
InChI=1S/C8H16O/c1-4-8(5-2,6-3)7-9/h7H,4-6H2,1-3H3
InChIKey
BVNYROHOUZCIEL-UHFFFAOYSA-N
Compound name
2,2-diethylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 129.4
[M+Na]+ 151.10934 140.0
[M+NH4]+ 146.15394 137.5
[M+K]+ 167.08328 134.2
[M-H]- 127.11284 128.7
[M+Na-2H]- 149.09479 133.5
[M]+ 128.11957 130.7
[M]- 128.12067 130.7
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