CID 67114

4-(diethylamino)benzaldehyde

Structural Information

Molecular Formula
C11H15NO
SMILES
CCN(CC)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
InChIKey
MNFZZNNFORDXSV-UHFFFAOYSA-N
Compound name
4-(diethylamino)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

47
References

4208
Patents

177.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 138.6
[M+Na]+ 200.10459 145.7
[M-H]- 176.10809 143.6
[M+NH4]+ 195.14919 159.3
[M+K]+ 216.07853 144.6
[M+H-H2O]+ 160.11263 132.3
[M+HCOO]- 222.11357 164.5
[M+CH3COO]- 236.12922 188.0
[M+Na-2H]- 198.09004 144.6
[M]+ 177.11482 140.9
[M]- 177.11592 140.9
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