CID 3021679

90226-24-7

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1CCCCC1(C)N

InChI

InChI=1S/C8H17N/c1-7-5-3-4-6-8(7,2)9/h7H,3-6,9H2,1-2H3

InChIKey

KMLNXROOABNOMI-UHFFFAOYSA-N

Compound name

1,2-dimethylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17901
Patents: 127.1361 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]+	128.143376	128.5
[M+Na]+	150.125318	134.3
[M-H]-	126.128824	131.4
[M+NH4]+	145.169923	152.3
[M+K]+	166.099258	133.2
[M+H-H2O]+	110.133360	124.1
[M+HCOO]-	172.134301	149.4
[M+CH3COO]-	186.149951	174.2
[M+Na-2H]-	148.110766	133.9
[M]+	127.13555142	122.6
[M]-	127.13664858	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe