CID 75812

Pentylamine, 1,1-dimethyl-

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCCCC(C)(C)N

InChI

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

InChIKey

QHZRZIWCGRXBRY-UHFFFAOYSA-N

Compound name

2-methylhexan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1030
Patents: 115.1361 Da
Monoisotopic Mass: 1.7
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]+	116.143376	127.9
[M+Na]+	138.125318	134.3
[M-H]-	114.128824	127.7
[M+NH4]+	133.169923	150.4
[M+K]+	154.099258	133.9
[M+H-H2O]+	98.133360	123.8
[M+HCOO]-	160.134301	150.2
[M+CH3COO]-	174.149951	174.7
[M+Na-2H]-	136.110766	134.2
[M]+	115.13555142	127.2
[M]-	115.13664858	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe