CID 32490

Propamocarb

Structural Information

Molecular Formula

C₉H₂₀N₂O₂

SMILES

CCCOC(=O)NCCCN(C)C

InChI

InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)

InChIKey

WZZLDXDUQPOXNW-UHFFFAOYSA-N

Compound name

propyl N-[3-(dimethylamino)propyl]carbamate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 55
References: 38217
Patents: 188.15248 Da
Monoisotopic Mass: 1.2
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]+	189.15976	146.3
[M+Na]+	211.14170	150.9
[M-H]-	187.14520	147.6
[M+NH4]+	206.18630	166.2
[M+K]+	227.11564	152.0
[M+H-H2O]+	171.14974	140.0
[M+HCOO]-	233.15068	171.4
[M+CH3COO]-	247.16633	192.0
[M+Na-2H]-	209.12715	150.1
[M]+	188.15193	149.7
[M]-	188.15303	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe