CID 74214

2-ethyl-2-(hydroxymethyl)butanal

Structural Information

Molecular Formula
C7H14O2
SMILES
CCC(CC)(CO)C=O
InChI
InChI=1S/C7H14O2/c1-3-7(4-2,5-8)6-9/h5,9H,3-4,6H2,1-2H3
InChIKey
RCQAUUCWIIQGEP-UHFFFAOYSA-N
Compound name
2-ethyl-2-(hydroxymethyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

130.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 128.4
[M+Na]+ 153.08860 138.0
[M+NH4]+ 148.13320 135.7
[M+K]+ 169.06254 133.4
[M-H]- 129.09210 126.6
[M+Na-2H]- 151.07405 131.6
[M]+ 130.09883 129.0
[M]- 130.09993 129.0
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

patents stripe