CID 20351992

(4-hydroxycyclohexyl)urea

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

C1CC(CCC1NC(=O)N)O

InChI

InChI=1S/C7H14N2O2/c8-7(11)9-5-1-3-6(10)4-2-5/h5-6,10H,1-4H2,(H3,8,9,11)

InChIKey

XHGQUXWDFBTLKQ-UHFFFAOYSA-N

Compound name

(4-hydroxycyclohexyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 158.10553 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]+	159.112806	133.9
[M+Na]+	181.094748	137.9
[M-H]-	157.098254	135.1
[M+NH4]+	176.139353	153.0
[M+K]+	197.068688	136.7
[M+H-H2O]+	141.102790	128.2
[M+HCOO]-	203.103731	154.3
[M+CH3COO]-	217.119381	177.6
[M+Na-2H]-	179.080196	137.2
[M]+	158.10498142	126.2
[M]-	158.10607858	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe