CID 209543

(1-ethyl-3-pyrrolidinyl)urea

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

CCN1CCC(C1)NC(=O)N

InChI

InChI=1S/C7H15N3O/c1-2-10-4-3-6(5-10)9-7(8)11/h6H,2-5H2,1H3,(H3,8,9,11)

InChIKey

RPOOCEPQRXHAMR-UHFFFAOYSA-N

Compound name

(1-ethylpyrrolidin-3-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 157.1215 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]+	158.12878	135.4
[M+Na]+	180.11072	142.3
[M+NH4]+	175.15532	142.4
[M+K]+	196.08466	140.1
[M-H]-	156.11422	135.9
[M+Na-2H]-	178.09617	138.1
[M]+	157.12095	135.9
[M]-	157.12205	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe