CID 134291733

2287345-42-8

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

CCCOC(=O)NCCCNC

InChI

InChI=1S/C8H18N2O2/c1-3-7-12-8(11)10-6-4-5-9-2/h9H,3-7H2,1-2H3,(H,10,11)

InChIKey

DLFIWYTWQFOSEM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 174.13683 Da
Monoisotopic Mass: 0.8
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]+	175.144106	141.3
[M+Na]+	197.126048	146.0
[M-H]-	173.129554	141.1
[M+NH4]+	192.170653	161.0
[M+K]+	213.099988	146.0
[M+H-H2O]+	157.134090	135.3
[M+HCOO]-	219.135031	166.1
[M+CH3COO]-	233.150681	185.5
[M+Na-2H]-	195.111496	146.4
[M]+	174.13628142	143.0
[M]-	174.13737858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe