CID 2899

Cycloheptylamine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

C1CCCC(CC1)N

InChI

InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2

InChIKey

VXVVUHQULXCUPF-UHFFFAOYSA-N

Compound name

cycloheptanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 6978
Patents: 113.12045 Da
Monoisotopic Mass: 2.0
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]+	114.12773	120.3
[M+Na]+	136.10967	122.5
[M-H]-	112.11317	123.6
[M+NH4]+	131.15427	140.5
[M+K]+	152.08361	125.9
[M+H-H2O]+	96.117710	115.4
[M+HCOO]-	158.11865	140.6
[M+CH3COO]-	172.13430	173.0
[M+Na-2H]-	134.09512	125.6
[M]+	113.11990	110.5
[M]-	113.12100	110.5

Literature stripe

literature stripe

Patent stripe

patents stripe