CID 3061203

Urea, 1-methyl-3-pentyl-

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCCCCNC(=O)NC

InChI

InChI=1S/C7H16N2O/c1-3-4-5-6-9-7(10)8-2/h3-6H2,1-2H3,(H2,8,9,10)

InChIKey

GMALRFFLCMWBEZ-UHFFFAOYSA-N

Compound name

1-methyl-3-pentylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 144.12627 Da
Monoisotopic Mass: 0.7
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]+	145.133546	134.1
[M+Na]+	167.115488	139.4
[M-H]-	143.118994	134.2
[M+NH4]+	162.160093	155.1
[M+K]+	183.089428	139.1
[M+H-H2O]+	127.123530	128.6
[M+HCOO]-	189.124471	159.0
[M+CH3COO]-	203.140121	180.4
[M+Na-2H]-	165.100936	139.7
[M]+	144.12572142	134.0
[M]-	144.12681858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe