CID 13631121

1-azabicyclo[2.2.1]heptane

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1CN2CCC1C2

InChI

InChI=1S/C6H11N/c1-3-7-4-2-6(1)5-7/h6H,1-5H2

InChIKey

JVCBVWTTXCNJBJ-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7048
Patents: 97.08915 Da
Monoisotopic Mass: 0.8
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	120.1
[M+Na]+	120.07837	127.3
[M-H]-	96.081874	121.4
[M+NH4]+	115.12297	147.0
[M+K]+	136.05231	126.6
[M+H-H2O]+	80.086410	115.0
[M+HCOO]-	142.08735	141.1
[M+CH3COO]-	156.10300	134.3
[M+Na-2H]-	118.06382	125.7
[M]+	97.088601	117.3
[M]-	97.089699	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe