CID 14810387

2-methylcycloheptan-1-amine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1CCCCCC1N

InChI

InChI=1S/C8H17N/c1-7-5-3-2-4-6-8(7)9/h7-8H,2-6,9H2,1H3

InChIKey

UHTCTILWSRQCBQ-UHFFFAOYSA-N

Compound name

2-methylcycloheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 127.1361 Da
Monoisotopic Mass: 2.1
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]+	128.14338	125.7
[M+Na]+	150.12532	133.9
[M+NH4]+	145.16992	134.3
[M+K]+	166.09926	129.7
[M-H]-	126.12882	128.3
[M+Na-2H]-	148.11077	131.0
[M]+	127.13555	127.4
[M]-	127.13665	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe