CID 3021677

90226-21-4

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1(CCCCC1)NC

InChI

InChI=1S/C8H17N/c1-8(9-2)6-4-3-5-7-8/h9H,3-7H2,1-2H3

InChIKey

GHPKKPXJITVOOG-UHFFFAOYSA-N

Compound name

N,1-dimethylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 113
Patents: 127.1361 Da
Monoisotopic Mass: 1.8
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]+	128.143376	128.6
[M+Na]+	150.125318	133.3
[M-H]-	126.128824	131.5
[M+NH4]+	145.169923	152.2
[M+K]+	166.099258	132.6
[M+H-H2O]+	110.133360	123.7
[M+HCOO]-	172.134301	150.1
[M+CH3COO]-	186.149951	173.8
[M+Na-2H]-	148.110766	135.6
[M]+	127.13555142	123.3
[M]-	127.13664858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe