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

41
Patents

179.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.1
[M+Na]+ 202.08386 145.1
[M-H]- 178.08736 141.3
[M+NH4]+ 197.12846 157.3
[M+K]+ 218.05780 143.9
[M+H-H2O]+ 162.09190 131.3
[M+HCOO]- 224.09284 162.1
[M+CH3COO]- 238.10849 185.5
[M+Na-2H]- 200.06931 142.5
[M]+ 179.09409 139.0
[M]- 179.09519 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