CID 6861419

Benzaldehyde semicarbazone

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)N
InChI
InChI=1S/C8H9N3O/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6+
InChIKey
AKGUXECGGCUDCV-UXBLZVDNSA-N
Compound name
[(E)-benzylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

178
Patents

163.07455 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 132.3
[M+Na]+ 186.063768 138.4
[M-H]- 162.067274 136.9
[M+NH4]+ 181.108373 152.3
[M+K]+ 202.037708 137.0
[M+H-H2O]+ 146.071810 125.4
[M+HCOO]- 208.072751 160.8
[M+CH3COO]- 222.088401 184.8
[M+Na-2H]- 184.049216 140.1
[M]+ 163.07400142 129.7
[M]- 163.07509858 129.7
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