CID 130330393

2377031-47-3

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CCC12CC(C1)(C2)N

InChI

InChI=1S/C7H13N/c1-2-6-3-7(8,4-6)5-6/h2-5,8H2,1H3

InChIKey

PXZSLSBCPFASST-UHFFFAOYSA-N

Compound name

3-ethylbicyclo[1.1.1]pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 111.1048 Da
Monoisotopic Mass: 1.0
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]+	112.11208	145.0
[M+Na]+	134.09402	149.2
[M-H]-	110.09752	148.3
[M+NH4]+	129.13862	153.0
[M+K]+	150.06796	154.6
[M+H-H2O]+	94.102060	132.4
[M+HCOO]-	156.10300	158.9
[M+CH3COO]-	170.11865	202.6
[M+Na-2H]-	132.07947	152.0
[M]+	111.10425	168.1
[M]-	111.10535	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe