CID 261879

3-amino-1-cyclohexylurea

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

C1CCC(CC1)NC(=O)NN

InChI

InChI=1S/C7H15N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h6H,1-5,8H2,(H2,9,10,11)

InChIKey

VZVGVHNZWUQMRZ-UHFFFAOYSA-N

Compound name

1-amino-3-cyclohexylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 157.1215 Da
Monoisotopic Mass: 0.1
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]+	158.128776	133.7
[M+Na]+	180.110718	136.4
[M-H]-	156.114224	135.8
[M+NH4]+	175.155323	152.9
[M+K]+	196.084658	135.6
[M+H-H2O]+	140.118760	127.1
[M+HCOO]-	202.119701	156.3
[M+CH3COO]-	216.135351	181.3
[M+Na-2H]-	178.096166	138.5
[M]+	157.12095142	125.2
[M]-	157.12204858	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe