CID 209543

19985-14-9

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]+	158.128776	135.3
[M+Na]+	180.110718	140.6
[M-H]-	156.114224	136.7
[M+NH4]+	175.155323	155.7
[M+K]+	196.084658	139.7
[M+H-H2O]+	140.118760	128.5
[M+HCOO]-	202.119701	157.8
[M+CH3COO]-	216.135351	180.3
[M+Na-2H]-	178.096166	137.9
[M]+	157.12095142	130.6
[M]-	157.12204858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe