CID 9578408

2-(2-pyridylmethyl)cyclopentanone semicarbazone

Structural Information

Molecular Formula
C12H16N4O
SMILES
C1CC(/C(=N/NC(=O)N)/C1)CC2=CC=CC=N2
InChI
InChI=1S/C12H16N4O/c13-12(17)16-15-11-6-3-4-9(11)8-10-5-1-2-7-14-10/h1-2,5,7,9H,3-4,6,8H2,(H3,13,16,17)/b15-11+
InChIKey
KAAOECHPTUGGBC-RVDMUPIBSA-N
Compound name
[(E)-[2-(pyridin-2-ylmethyl)cyclopentylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13242 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 153.9
[M+Na]+ 255.12164 162.1
[M+NH4]+ 250.16624 161.0
[M+K]+ 271.09558 158.3
[M-H]- 231.12514 157.7
[M+Na-2H]- 253.10709 159.9
[M]+ 232.13187 155.6
[M]- 232.13297 155.6
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.