CID 12742481

Solvent black 5

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CCCN(CCC)C(=O)CN

InChI

InChI=1S/C8H18N2O/c1-3-5-10(6-4-2)8(11)7-9/h3-7,9H2,1-2H3

InChIKey

XSCWTEXRVXWWNI-UHFFFAOYSA-N

Compound name

2-amino-N,N-dipropylacetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 545
Patents: 158.1419 Da
Monoisotopic Mass: 0.6
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]+	159.14918	139.1
[M+Na]+	181.13112	144.1
[M-H]-	157.13462	140.0
[M+NH4]+	176.17572	159.9
[M+K]+	197.10506	144.6
[M+H-H2O]+	141.13916	133.2
[M+HCOO]-	203.14010	163.6
[M+CH3COO]-	217.15575	187.0
[M+Na-2H]-	179.11657	142.3
[M]+	158.14135	139.7
[M]-	158.14245	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe