CID 9589491

Hydrazinecarboxylic acid, (2-furanylmethylene)-, phenylmethyl ester

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1=CC=C(C=C1)COC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C13H12N2O3/c16-13(15-14-9-12-7-4-8-17-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)/b14-9+
InChIKey
LQPJHVJILKEPGH-NTEUORMPSA-N
Compound name
benzyl N-[(E)-furan-2-ylmethylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 153.3
[M+Na]+ 267.07402 159.3
[M-H]- 243.07752 161.9
[M+NH4]+ 262.11862 170.7
[M+K]+ 283.04796 158.5
[M+H-H2O]+ 227.08206 145.4
[M+HCOO]- 289.08300 181.5
[M+CH3COO]- 303.09865 194.7
[M+Na-2H]- 265.05947 160.3
[M]+ 244.08425 155.8
[M]- 244.08535 155.8
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

No patent data available for this compound.