CID 136576292

2225144-67-0

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC2(C1CCCCC2)N

InChI

InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-9-14(15)8-6-4-5-7-11(14)16/h11H,4-10,15H2,1-3H3

InChIKey

NPISOLQCJUHVDB-UHFFFAOYSA-N

Compound name

tert-butyl 3a-amino-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.19943 Da
Monoisotopic Mass: 2.0
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]+	255.206706	159.7
[M+Na]+	277.188648	162.4
[M-H]-	253.192154	162.5
[M+NH4]+	272.233253	178.3
[M+K]+	293.162588	163.9
[M+H-H2O]+	237.196690	153.8
[M+HCOO]-	299.197631	174.1
[M+CH3COO]-	313.213281	196.2
[M+Na-2H]-	275.174096	161.5
[M]+	254.19888142	152.5
[M]-	254.19997858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.