CID 15320

2-cyclohexylidenehydrazinecarboxamide

Structural Information

Molecular Formula

C₇H₁₃N₃O

SMILES

C1CCC(=NNC(=O)N)CC1

InChI

InChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11)

InChIKey

KZDDDHJBINUIKQ-UHFFFAOYSA-N

Compound name

(cyclohexylideneamino)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 19
Patents: 155.10587 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	156.11315	132.3
[M+Na]+	178.09509	135.7
[M-H]-	154.09859	135.9
[M+NH4]+	173.13969	152.3
[M+K]+	194.06903	135.3
[M+H-H2O]+	138.10313	125.6
[M+HCOO]-	200.10407	156.7
[M+CH3COO]-	214.11972	182.9
[M+Na-2H]-	176.08054	137.7
[M]+	155.10532	125.0
[M]-	155.10642	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe