CID 411674

15182-94-2

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C13H19NO2/c1-3-14(4-2)9-10-16-13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKey
NYCUSYCCGKZKBM-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

221.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.2
[M+Na]+ 244.13081 157.4
[M-H]- 220.13431 155.8
[M+NH4]+ 239.17541 170.1
[M+K]+ 260.10475 156.3
[M+H-H2O]+ 204.13885 144.2
[M+HCOO]- 266.13979 176.7
[M+CH3COO]- 280.15544 196.0
[M+Na-2H]- 242.11626 156.1
[M]+ 221.14104 155.7
[M]- 221.14214 155.7
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