CID 135466838

Salicylaldehyde, semicarbazone

Structural Information

Molecular Formula
C8H9N3O2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)N)O
InChI
InChI=1S/C8H9N3O2/c9-8(13)11-10-5-6-3-1-2-4-7(6)12/h1-5,12H,(H3,9,11,13)/b10-5+
InChIKey
IZXDQSKCOWSUOG-BJMVGYQFSA-N
Compound name
[(E)-(2-hydroxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

69
Patents

179.06947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 135.6
[M+Na]+ 202.05869 142.1
[M-H]- 178.06219 139.1
[M+NH4]+ 197.10329 154.4
[M+K]+ 218.03263 140.3
[M+H-H2O]+ 162.06673 128.8
[M+HCOO]- 224.06767 162.7
[M+CH3COO]- 238.08332 185.7
[M+Na-2H]- 200.04414 142.1
[M]+ 179.06892 132.8
[M]- 179.07002 132.8
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