CID 9557619

113906-55-1

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C12H16N2O2/c15-12(10-5-2-1-3-6-10)14-13-9-11-7-4-8-16-11/h4,7-10H,1-3,5-6H2,(H,14,15)/b13-9+
InChIKey
RZCYQPWFBVMHIZ-UKTHLTGXSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 149.8
[M+Na]+ 243.110408 153.1
[M-H]- 219.113914 157.3
[M+NH4]+ 238.155013 167.8
[M+K]+ 259.084348 152.5
[M+H-H2O]+ 203.118450 142.2
[M+HCOO]- 265.119391 173.7
[M+CH3COO]- 279.135041 191.3
[M+Na-2H]- 241.095856 154.3
[M]+ 220.12064142 146.2
[M]- 220.12173858 146.2
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.