CID 118941204

1886967-00-5

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CC(C)C12CC(C1)(C2)N

InChI

InChI=1S/C8H15N/c1-6(2)7-3-8(9,4-7)5-7/h6H,3-5,9H2,1-2H3

InChIKey

NVQUBLNEHNOLSL-UHFFFAOYSA-N

Compound name

3-propan-2-ylbicyclo[1.1.1]pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 125.12045 Da
Monoisotopic Mass: 1.2
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]+	126.127726	153.7
[M+Na]+	148.109668	157.2
[M-H]-	124.113174	156.7
[M+NH4]+	143.154273	161.1
[M+K]+	164.083608	162.8
[M+H-H2O]+	108.117710	140.7
[M+HCOO]-	170.118651	166.3
[M+CH3COO]-	184.134301	205.4
[M+Na-2H]-	146.095116	158.8
[M]+	125.11990142	176.3
[M]-	125.12099858	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe