CID 3145452

3-[(dimethylamino)methyl]-4-hydroxybenzaldehyde hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
CN(C)CC1=C(C=CC(=C1)C=O)O
InChI
InChI=1S/C10H13NO2/c1-11(2)6-9-5-8(7-12)3-4-10(9)13/h3-5,7,13H,6H2,1-2H3
InChIKey
RONWGSMHSGHRJS-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

179.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 137.1
[M+Na]+ 202.083858 145.1
[M-H]- 178.087364 141.3
[M+NH4]+ 197.128463 157.3
[M+K]+ 218.057798 143.9
[M+H-H2O]+ 162.091900 131.3
[M+HCOO]- 224.092841 162.1
[M+CH3COO]- 238.108491 185.5
[M+Na-2H]- 200.069306 142.5
[M]+ 179.09409142 139.0
[M]- 179.09518858 139.0
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