CID 13402006

1423032-78-3

Structural Information

Molecular Formula

C₅H₁₁N₃O

SMILES

C1CNCC1NC(=O)N

InChI

InChI=1S/C5H11N3O/c6-5(9)8-4-1-2-7-3-4/h4,7H,1-3H2,(H3,6,8,9)

InChIKey

XGBULVIMVCHZSV-UHFFFAOYSA-N

Compound name

pyrrolidin-3-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 477
Patents: 129.09021 Da
Monoisotopic Mass: -1.3
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]+	130.097486	126.7
[M+Na]+	152.079428	131.4
[M-H]-	128.082934	126.6
[M+NH4]+	147.124033	147.1
[M+K]+	168.053368	130.2
[M+H-H2O]+	112.087470	120.1
[M+HCOO]-	174.088411	148.3
[M+CH3COO]-	188.104061	170.5
[M+Na-2H]-	150.064876	130.5
[M]+	129.08966142	118.9
[M]-	129.09075858	118.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe