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: 34
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]+	158.12878	133.7
[M+Na]+	180.11072	136.4
[M-H]-	156.11422	135.8
[M+NH4]+	175.15532	152.9
[M+K]+	196.08466	135.6
[M+H-H2O]+	140.11876	127.1
[M+HCOO]-	202.11970	156.3
[M+CH3COO]-	216.13535	181.3
[M+Na-2H]-	178.09617	138.5
[M]+	157.12095	125.2
[M]-	157.12205	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe