CID 11888012

1073556-32-7

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CCN1C[C@H]2C[C@@H]1CN2

InChI

InChI=1S/C7H14N2/c1-2-9-5-6-3-7(9)4-8-6/h6-8H,2-5H2,1H3/t6-,7-/m1/s1

InChIKey

JHJSEBFGEBLLQN-RNFRBKRXSA-N

Compound name

(1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 126.1157 Da
Monoisotopic Mass: 0.2
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	129.3
[M+Na]+	149.10492	136.7
[M-H]-	125.10842	128.0
[M+NH4]+	144.14952	153.4
[M+K]+	165.07886	134.8
[M+H-H2O]+	109.11296	123.5
[M+HCOO]-	171.11390	147.3
[M+CH3COO]-	185.12955	142.0
[M+Na-2H]-	147.09037	133.0
[M]+	126.11515	126.0
[M]-	126.11625	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe