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

69
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

literature stripe

Patent stripe

patents stripe