CID 123507

2,3-dimethylcyclohexylamine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1CCCC(C1C)N

InChI

InChI=1S/C8H17N/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5,9H2,1-2H3

InChIKey

LKWOOKWVBNSLGN-UHFFFAOYSA-N

Compound name

2,3-dimethylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 833
Patents: 127.1361 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]+	128.143376	128.8
[M+Na]+	150.125318	134.6
[M-H]-	126.128824	131.7
[M+NH4]+	145.169923	150.9
[M+K]+	166.099258	133.3
[M+H-H2O]+	110.133360	123.8
[M+HCOO]-	172.134301	149.7
[M+CH3COO]-	186.149951	175.8
[M+Na-2H]-	148.110766	132.4
[M]+	127.13555142	123.0
[M]-	127.13664858	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe