CID 96217385

2408935-87-3

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1C[C@H]2[C@@H]1CCNC2

InChI

InChI=1S/C7H13N/c1-2-7-5-8-4-3-6(1)7/h6-8H,1-5H2/t6-,7+/m0/s1

InChIKey

LTQWPCFIFXGAFK-NKWVEPMBSA-N

Compound name

(1S,6S)-3-azabicyclo[4.2.0]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 111.1048 Da
Monoisotopic Mass: 1.1
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]+	112.11208	121.0
[M+Na]+	134.09402	127.3
[M+NH4]+	129.13862	126.9
[M+K]+	150.06796	123.1
[M-H]-	110.09752	119.9
[M+Na-2H]-	132.07947	123.5
[M]+	111.10425	120.2
[M]-	111.10535	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.