CID 117273105

2108646-79-1

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1C2CC1(C2)CN

InChI

InChI=1S/C6H11N/c7-4-6-1-5(2-6)3-6/h5H,1-4,7H2

InChIKey

CMTDDETYQKOUFZ-UHFFFAOYSA-N

Compound name

1-bicyclo[1.1.1]pentanylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 97.08915 Da
Monoisotopic Mass: 0.3
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	135.6
[M+Na]+	120.07837	139.5
[M-H]-	96.081874	138.7
[M+NH4]+	115.12297	142.6
[M+K]+	136.05231	145.7
[M+H-H2O]+	80.086410	121.9
[M+HCOO]-	142.08735	150.0
[M+CH3COO]-	156.10300	200.5
[M+Na-2H]-	118.06382	142.9
[M]+	97.088601	158.3
[M]-	97.089699	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe