CID 11147748

2,4-diaminobenzaldehyde

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1=CC(=C(C=C1N)N)C=O
InChI
InChI=1S/C7H8N2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H,8-9H2
InChIKey
VMFJRVFZHAPENO-UHFFFAOYSA-N
Compound name
2,4-diaminobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

136.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 125.0
[M+Na]+ 159.052878 133.8
[M-H]- 135.056384 128.6
[M+NH4]+ 154.097483 146.2
[M+K]+ 175.026818 131.5
[M+H-H2O]+ 119.060920 119.5
[M+HCOO]- 181.061861 151.5
[M+CH3COO]- 195.077511 177.1
[M+Na-2H]- 157.038326 131.3
[M]+ 136.06311142 122.2
[M]- 136.06420858 122.2
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