CID 9815305

4-(dimethylamino)-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C9H11NO2
SMILES
CN(C)C1=CC(=C(C=C1)C=O)O
InChI
InChI=1S/C9H11NO2/c1-10(2)8-4-3-7(6-11)9(12)5-8/h3-6,12H,1-2H3
InChIKey
KURCTZNCAHYQOV-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

816
Patents

165.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 132.4
[M+Na]+ 188.068198 140.8
[M-H]- 164.071704 136.8
[M+NH4]+ 183.112803 153.2
[M+K]+ 204.042138 139.8
[M+H-H2O]+ 148.076240 126.8
[M+HCOO]- 210.077181 157.7
[M+CH3COO]- 224.092831 182.4
[M+Na-2H]- 186.053646 138.3
[M]+ 165.07843142 133.9
[M]- 165.07952858 133.9
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