CID 83478681

2490402-24-7

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CC1(C2CC1CNC2)C

InChI

InChI=1S/C8H15N/c1-8(2)6-3-7(8)5-9-4-6/h6-7,9H,3-5H2,1-2H3

InChIKey

GKNCCWSNTQACMO-UHFFFAOYSA-N

Compound name

6,6-dimethyl-3-azabicyclo[3.1.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 125.12045 Da
Monoisotopic Mass: 1.4
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	137.7
[M+Na]+	148.109668	143.5
[M-H]-	124.113174	134.7
[M+NH4]+	143.154273	158.0
[M+K]+	164.083608	144.0
[M+H-H2O]+	108.117710	129.4
[M+HCOO]-	170.118651	149.2
[M+CH3COO]-	184.134301	148.7
[M+Na-2H]-	146.095116	148.2
[M]+	125.11990142	146.1
[M]-	125.12099858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe