CID 165607296

2792185-65-8

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N(C)CCC12CC(C1)CCN2

InChI

InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16(4)8-6-14-9-11(10-14)5-7-15-14/h11,15H,5-10H2,1-4H3

InChIKey

PFDBRVWCPSGBQP-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(2-azabicyclo[3.1.1]heptan-1-yl)ethyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.19943 Da
Monoisotopic Mass: 1.8
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]+	255.206706	179.6
[M+Na]+	277.188648	180.7
[M-H]-	253.192154	175.9
[M+NH4]+	272.233253	194.3
[M+K]+	293.162588	183.1
[M+H-H2O]+	237.196690	169.7
[M+HCOO]-	299.197631	187.8
[M+CH3COO]-	313.213281	204.3
[M+Na-2H]-	275.174096	186.5
[M]+	254.19888142	190.6
[M]-	254.19997858	190.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.