CID 780883

55586-68-0

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCN(CC)C1=CC(=C(C=C1)C=O)OC
InChI
InChI=1S/C12H17NO2/c1-4-13(5-2)11-7-6-10(9-14)12(8-11)15-3/h6-9H,4-5H2,1-3H3
InChIKey
FJBDMJZBYSCLLJ-UHFFFAOYSA-N
Compound name
4-(diethylamino)-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

72
Patents

207.12593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.9
[M+Na]+ 230.11515 153.4
[M-H]- 206.11865 151.1
[M+NH4]+ 225.15975 165.6
[M+K]+ 246.08909 152.6
[M+H-H2O]+ 190.12319 139.3
[M+HCOO]- 252.12413 171.6
[M+CH3COO]- 266.13978 194.2
[M+Na-2H]- 228.10060 150.6
[M]+ 207.12538 150.4
[M]- 207.12648 150.4
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

No patent data available for this compound.