CID 55287826

1909337-55-8

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CN(C)C1[C@H]2[C@@H]1CNC2

InChI

InChI=1S/C7H14N2/c1-9(2)7-5-3-8-4-6(5)7/h5-8H,3-4H2,1-2H3/t5-,6+,7?

InChIKey

OJQACUULHAUXBI-MEKDEQNOSA-N

Compound name

(1S,5R)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 126.1157 Da
Monoisotopic Mass: 0.0
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]+	127.12298	128.8
[M+Na]+	149.10492	137.8
[M-H]-	125.10842	132.8
[M+NH4]+	144.14952	147.4
[M+K]+	165.07886	135.3
[M+H-H2O]+	109.11296	122.7
[M+HCOO]-	171.11390	150.4
[M+CH3COO]-	185.12955	179.1
[M+Na-2H]-	147.09037	134.0
[M]+	126.11515	129.1
[M]-	126.11625	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe