CID 1176

Urea

Structural Information

Molecular Formula

SMILES

C(=O)(N)N

InChI

InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

InChIKey

XSQUKJJJFZCRTK-UHFFFAOYSA-N

Compound name

urea

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 64047
References: 281457
Patents: 60.032364 Da
Monoisotopic Mass: -1.4
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]+	61.039640	106.6
[M+Na]+	83.021582	115.1
[M+NH4]+	78.066187	114.4
[M+K]+	98.995522	111.9
[M-H]-	59.025088	106.5
[M+Na-2H]-	81.007030	110.4
[M]+	60.031815	107.2
[M]-	60.032913	107.2

Literature stripe

literature stripe

Patent stripe

patents stripe