CID 5603

2-aminoheptane

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCCCCC(C)N

InChI

InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3

InChIKey

VSRBKQFNFZQRBM-UHFFFAOYSA-N

Compound name

heptan-2-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 23
References: 7999
Patents: 115.1361 Da
Monoisotopic Mass: 2.4
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	126.8
[M+Na]+	138.12532	136.3
[M+NH4]+	133.16992	135.3
[M+K]+	154.09926	130.6
[M-H]-	114.12882	127.4
[M+Na-2H]-	136.11077	130.7
[M]+	115.13555	128.1
[M]-	115.13665	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe