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: 116
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]+	141.138626	134.8
[M+Na]+	163.120568	141.4
[M-H]-	139.124074	133.4
[M+NH4]+	158.165173	158.3
[M+K]+	179.094508	139.7
[M+H-H2O]+	123.128610	129.0
[M+HCOO]-	185.129551	151.4
[M+CH3COO]-	199.145201	173.3
[M+Na-2H]-	161.106016	136.8
[M]+	140.13080142	131.2
[M]-	140.13189858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe