CID 86010395

796963-34-3

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CC12CC(C1)(C2)N

InChI

InChI=1S/C6H11N/c1-5-2-6(7,3-5)4-5/h2-4,7H2,1H3

InChIKey

CMLXTYOTLRJVJX-UHFFFAOYSA-N

Compound name

3-methylbicyclo[1.1.1]pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 97.08915 Da
Monoisotopic Mass: 0.4
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]+	98.096426	140.9
[M+Na]+	120.07837	145.5
[M-H]-	96.081874	144.4
[M+NH4]+	115.12297	149.4
[M+K]+	136.05231	151.1
[M+H-H2O]+	80.086410	128.5
[M+HCOO]-	142.08735	155.1
[M+CH3COO]-	156.10300	200.3
[M+Na-2H]-	118.06382	148.4
[M]+	97.088601	163.8
[M]-	97.089699	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe