CID 291352

4-dimethylamino-2-nitrobenzaldehyde

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CN(C)C1=CC(=C(C=C1)C=O)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c1-10(2)8-4-3-7(6-12)9(5-8)11(13)14/h3-6H,1-2H3
InChIKey
DHLFXZQEAWYQLC-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

194.06914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 138.1
[M+Na]+ 217.05836 145.7
[M-H]- 193.06186 143.7
[M+NH4]+ 212.10296 157.3
[M+K]+ 233.03230 141.3
[M+H-H2O]+ 177.06640 136.5
[M+HCOO]- 239.06734 165.7
[M+CH3COO]- 253.08299 184.2
[M+Na-2H]- 215.04381 145.4
[M]+ 194.06859 138.8
[M]- 194.06969 138.8
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