CID 118754

Propylamine, 1,1-dimethyl-n-ethyl-, hydrochloride

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCC(C)(C)NCC

InChI

InChI=1S/C7H17N/c1-5-7(3,4)8-6-2/h8H,5-6H2,1-4H3

InChIKey

XFNDIVLWLWFLGD-UHFFFAOYSA-N

Compound name

N-ethyl-2-methylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 555
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]+	116.14338	127.4
[M+Na]+	138.12532	133.8
[M-H]-	114.12882	127.8
[M+NH4]+	133.16992	150.2
[M+K]+	154.09926	133.8
[M+H-H2O]+	98.133360	123.3
[M+HCOO]-	160.13430	150.3
[M+CH3COO]-	174.14995	175.4
[M+Na-2H]-	136.11077	134.8
[M]+	115.13555	127.8
[M]-	115.13665	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe