CID 34072

2,4-dimethylpentanal

Structural Information

Molecular Formula
C7H14O
SMILES
CC(C)CC(C)C=O
InChI
InChI=1S/C7H14O/c1-6(2)4-7(3)5-8/h5-7H,4H2,1-3H3
InChIKey
GPTMCJMLSOIYGU-UHFFFAOYSA-N
Compound name
2,4-dimethylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1498
Patents

114.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 125.4
[M+Na]+ 137.09368 135.7
[M+NH4]+ 132.13828 133.6
[M+K]+ 153.06762 130.6
[M-H]- 113.09718 124.9
[M+Na-2H]- 135.07913 129.1
[M]+ 114.10391 126.5
[M]- 114.10501 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe