CID 9570107

2-furaldehyde semicarbazone

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1=COC(=C1)/C=N/NC(=O)N
InChI
InChI=1S/C6H7N3O2/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+
InChIKey
BAOXJBYPTRZNSH-XBXARRHUSA-N
Compound name
[(E)-furan-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

153.05383 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 129.3
[M+Na]+ 176.04305 135.9
[M-H]- 152.04655 134.6
[M+NH4]+ 171.08765 150.0
[M+K]+ 192.01699 136.5
[M+H-H2O]+ 136.05109 122.5
[M+HCOO]- 198.05203 158.2
[M+CH3COO]- 212.06768 180.9
[M+Na-2H]- 174.02850 136.8
[M]+ 153.05328 128.5
[M]- 153.05438 128.5
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