CID 3680258

38336-10-6

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

C1CC(OC1)CNC(=O)N

InChI

InChI=1S/C6H12N2O2/c7-6(9)8-4-5-2-1-3-10-5/h5H,1-4H2,(H3,7,8,9)

InChIKey

WKCQWWYEUQLEJW-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 144.08987 Da
Monoisotopic Mass: -0.6
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]+	145.097146	130.5
[M+Na]+	167.079088	135.2
[M-H]-	143.082594	133.6
[M+NH4]+	162.123693	151.0
[M+K]+	183.053028	135.8
[M+H-H2O]+	127.087130	124.5
[M+HCOO]-	189.088071	153.8
[M+CH3COO]-	203.103721	175.5
[M+Na-2H]-	165.064536	135.2
[M]+	144.08932142	126.5
[M]-	144.09041858	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe