CID 43164032

3-amino-1-cyclopentylurea

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

C1CCC(C1)NC(=O)NN

InChI

InChI=1S/C6H13N3O/c7-9-6(10)8-5-3-1-2-4-5/h5H,1-4,7H2,(H2,8,9,10)

InChIKey

BUQMXMDRGBXRCA-UHFFFAOYSA-N

Compound name

1-amino-3-cyclopentylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 143.10587 Da
Monoisotopic Mass: -0.4
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]+	144.113146	129.6
[M+Na]+	166.095088	133.5
[M-H]-	142.098594	132.1
[M+NH4]+	161.139693	151.2
[M+K]+	182.069028	132.9
[M+H-H2O]+	126.103130	123.1
[M+HCOO]-	188.104071	154.6
[M+CH3COO]-	202.119721	177.9
[M+Na-2H]-	164.080536	133.8
[M]+	143.10532142	122.7
[M]-	143.10641858	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe