CID 151479

Chembl213781

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCCCCN(C)C

InChI

InChI=1S/C7H17N/c1-4-5-6-7-8(2)3/h4-7H2,1-3H3

InChIKey

IDFANOPDMXWIOP-UHFFFAOYSA-N

Compound name

N,N-dimethylpentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 6222
Patents: 115.1361 Da
Monoisotopic Mass: 2.1
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]+	116.143376	127.4
[M+Na]+	138.125318	133.5
[M-H]-	114.128824	129.0
[M+NH4]+	133.169923	150.7
[M+K]+	154.099258	134.5
[M+H-H2O]+	98.133360	122.4
[M+HCOO]-	160.134301	152.4
[M+CH3COO]-	174.149951	178.7
[M+Na-2H]-	136.110766	133.5
[M]+	115.13555142	129.5
[M]-	115.13664858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe