CID 43810852

1172268-86-8

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CC2CCCC(C1)C2N

InChI

InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-11-7-9-5-4-6-10(8-11)12(9)15/h9-12H,4-8,15H2,1-3H3,(H,16,17)

InChIKey

IRRTYOSSILIGST-UHFFFAOYSA-N

Compound name

tert-butyl N-(9-amino-3-bicyclo[3.3.1]nonanyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.19943 Da
Monoisotopic Mass: 2.2
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]+	255.206706	161.3
[M+Na]+	277.188648	163.9
[M-H]-	253.192154	162.2
[M+NH4]+	272.233253	179.3
[M+K]+	293.162588	162.2
[M+H-H2O]+	237.196690	155.8
[M+HCOO]-	299.197631	175.9
[M+CH3COO]-	313.213281	201.1
[M+Na-2H]-	275.174096	164.3
[M]+	254.19888142	155.7
[M]-	254.19997858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe