CID 21704052

4-[2-(dimethylamino)ethyl]benzaldehyde

Structural Information

Molecular Formula
C11H15NO
SMILES
CN(C)CCC1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H15NO/c1-12(2)8-7-10-3-5-11(9-13)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKey
QWMCCNOXTOXUBK-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)ethyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 138.6
[M+Na]+ 200.10459 145.7
[M-H]- 176.10809 143.6
[M+NH4]+ 195.14919 159.3
[M+K]+ 216.07853 144.6
[M+H-H2O]+ 160.11263 132.3
[M+HCOO]- 222.11357 164.5
[M+CH3COO]- 236.12922 188.0
[M+Na-2H]- 198.09004 144.6
[M]+ 177.11482 140.9
[M]- 177.11592 140.9
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