CID 9547713

(cyclopropylmethyl)urea

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CC1CNC(=O)N

InChI

InChI=1S/C5H10N2O/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H3,6,7,8)

InChIKey

IRQWLEOSDCDEHQ-UHFFFAOYSA-N

Compound name

cyclopropylmethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 96
Patents: 114.079315 Da
Monoisotopic Mass: -0.3
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]+	115.086591	120.7
[M+Na]+	137.068533	128.8
[M-H]-	113.072039	125.1
[M+NH4]+	132.113138	137.7
[M+K]+	153.042473	126.9
[M+H-H2O]+	97.076575	114.9
[M+HCOO]-	159.077516	146.1
[M+CH3COO]-	173.093166	176.4
[M+Na-2H]-	135.053981	127.3
[M]+	114.07876642	120.5
[M]-	114.07986358	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe