CID 24787295

861418-82-8

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CC(C)N1C[C@@H]2C[C@H]1CN2

InChI

InChI=1S/C8H16N2/c1-6(2)10-5-7-3-8(10)4-9-7/h6-9H,3-5H2,1-2H3/t7-,8-/m0/s1

InChIKey

FUMTXFNRSOTREL-YUMQZZPRSA-N

Compound name

(1S,4S)-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 140.13135 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]+	141.13863	132.3
[M+Na]+	163.12057	140.5
[M+NH4]+	158.16517	141.1
[M+K]+	179.09451	139.0
[M-H]-	139.12407	131.2
[M+Na-2H]-	161.10602	133.1
[M]+	140.13080	132.8
[M]-	140.13190	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe