CID 45187

63907-02-8

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC1C2CCC(C2)C1(C)N

InChI

InChI=1S/C9H17N/c1-6-7-3-4-8(5-7)9(6,2)10/h6-8H,3-5,10H2,1-2H3

InChIKey

IPMHCUCDBKKMAQ-UHFFFAOYSA-N

Compound name

2,3-dimethylbicyclo[2.2.1]heptan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 139.1361 Da
Monoisotopic Mass: 1.6
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]+	140.14338	131.9
[M+Na]+	162.12532	139.9
[M-H]-	138.12882	134.7
[M+NH4]+	157.16992	160.6
[M+K]+	178.09926	137.5
[M+H-H2O]+	122.13336	128.5
[M+HCOO]-	184.13430	153.6
[M+CH3COO]-	198.14995	177.5
[M+Na-2H]-	160.11077	135.6
[M]+	139.13555	128.9
[M]-	139.13665	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe