CID 15939343

1354422-01-7

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1C[C@H]2[C@@H]1CCN2

InChI

InChI=1S/C6H11N/c1-2-6-5(1)3-4-7-6/h5-7H,1-4H2/t5-,6-/m0/s1

InChIKey

FIZARKJBNYKGJI-WDSKDSINSA-N

Compound name

(1S,5S)-2-azabicyclo[3.2.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 97.08915 Da
Monoisotopic Mass: 0.7
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	115.3
[M+Na]+	120.07837	121.0
[M-H]-	96.081874	116.8
[M+NH4]+	115.12297	132.9
[M+K]+	136.05231	122.2
[M+H-H2O]+	80.086410	105.7
[M+HCOO]-	142.08735	134.1
[M+CH3COO]-	156.10300	166.8
[M+Na-2H]-	118.06382	121.7
[M]+	97.088601	119.3
[M]-	97.089699	119.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.