CID 9574846

Schembl9973628

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(C)/C=N/NC(=O)C1=CC=CO1
InChI
InChI=1S/C9H12N2O2/c1-7(2)6-10-11-9(12)8-4-3-5-13-8/h3-7H,1-2H3,(H,11,12)/b10-6+
InChIKey
MKBBQOCZVLIUMH-UXBLZVDNSA-N
Compound name
N-[(E)-2-methylpropylideneamino]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

180.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 140.6
[M+Na]+ 203.07909 146.7
[M-H]- 179.08259 146.2
[M+NH4]+ 198.12369 160.9
[M+K]+ 219.05303 147.4
[M+H-H2O]+ 163.08713 134.1
[M+HCOO]- 225.08807 167.3
[M+CH3COO]- 239.10372 186.4
[M+Na-2H]- 201.06454 146.0
[M]+ 180.08932 142.1
[M]- 180.09042 142.1
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