CID 7359

2-ethylbutanal

Structural Information

Molecular Formula
C6H12O
SMILES
CCC(CC)C=O
InChI
InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
InChIKey
UNNGUFMVYQJGTD-UHFFFAOYSA-N
Compound name
2-ethylbutanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

13746
Patents

100.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.6
[M+Na]+ 123.07803 131.5
[M+NH4]+ 118.12263 129.1
[M+K]+ 139.05197 125.8
[M-H]- 99.081534 120.4
[M+Na-2H]- 121.06348 124.9
[M]+ 100.08826 121.9
[M]- 100.08936 121.9
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