CID 56566

Deab

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCN(CC)CCOC1=C(C=CC=C1C=O)CC=C
InChI
InChI=1S/C16H23NO2/c1-4-8-14-9-7-10-15(13-18)16(14)19-12-11-17(5-2)6-3/h4,7,9-10,13H,1,5-6,8,11-12H2,2-3H3
InChIKey
VZEZONWRBFJJMZ-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethoxy]-3-prop-2-enylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

44
References

1664
Patents

261.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.1
[M+Na]+ 284.16210 169.1
[M-H]- 260.16560 167.5
[M+NH4]+ 279.20670 180.5
[M+K]+ 300.13604 166.7
[M+H-H2O]+ 244.17014 155.7
[M+HCOO]- 306.17108 187.7
[M+CH3COO]- 320.18673 205.4
[M+Na-2H]- 282.14755 165.7
[M]+ 261.17233 168.3
[M]- 261.17343 168.3
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