CID 12824965

4-[n,n-bis(2-hydroxyethyl)amino]benzaldehyde

Structural Information

Molecular Formula
C11H15NO3
SMILES
C1=CC(=CC=C1C=O)N(CCO)CCO
InChI
InChI=1S/C11H15NO3/c13-7-5-12(6-8-14)11-3-1-10(9-15)2-4-11/h1-4,9,13-14H,5-8H2
InChIKey
YSDDPNWGLSGZRC-UHFFFAOYSA-N
Compound name
4-[bis(2-hydroxyethyl)amino]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

588
Patents

209.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 145.8
[M+Na]+ 232.09442 151.8
[M-H]- 208.09792 147.9
[M+NH4]+ 227.13902 163.6
[M+K]+ 248.06836 149.9
[M+H-H2O]+ 192.10246 139.4
[M+HCOO]- 254.10340 169.1
[M+CH3COO]- 268.11905 186.9
[M+Na-2H]- 230.07987 150.7
[M]+ 209.10465 147.1
[M]- 209.10575 147.1
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