CID 9574903

4-methoxybenzaldehyde semicarbazone

Structural Information

Molecular Formula
C9H11N3O2
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)N
InChI
InChI=1S/C9H11N3O2/c1-14-8-4-2-7(3-5-8)6-11-12-9(10)13/h2-6H,1H3,(H3,10,12,13)/b11-6+
InChIKey
OGMVRNVTFDFHHE-IZZDOVSWSA-N
Compound name
[(E)-(4-methoxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

193.08513 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 139.8
[M+Na]+ 216.07435 146.3
[M-H]- 192.07785 144.6
[M+NH4]+ 211.11895 158.8
[M+K]+ 232.04829 145.2
[M+H-H2O]+ 176.08239 132.7
[M+HCOO]- 238.08333 168.2
[M+CH3COO]- 252.09898 191.2
[M+Na-2H]- 214.05980 146.4
[M]+ 193.08458 139.3
[M]- 193.08568 139.3
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