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

4
Patents

177.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 138.6
[M+Na]+ 200.104588 145.7
[M-H]- 176.108094 143.6
[M+NH4]+ 195.149193 159.3
[M+K]+ 216.078528 144.6
[M+H-H2O]+ 160.112630 132.3
[M+HCOO]- 222.113571 164.5
[M+CH3COO]- 236.129221 188.0
[M+Na-2H]- 198.090036 144.6
[M]+ 177.11482142 140.9
[M]- 177.11591858 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