CID 137698872

2138231-04-4

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC2(C1CCCC2)CN

InChI

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

InChIKey

APOAUNNOAJYODG-UHFFFAOYSA-N

Compound name

tert-butyl 3a-(aminomethyl)-3,4,5,6,7,7a-hexahydro-2H-indole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.19943 Da
Monoisotopic Mass: 1.9
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	163.8
[M+Na]+	277.188648	167.9
[M-H]-	253.192154	165.2
[M+NH4]+	272.233253	183.8
[M+K]+	293.162588	166.1
[M+H-H2O]+	237.196690	158.3
[M+HCOO]-	299.197631	178.6
[M+CH3COO]-	313.213281	195.2
[M+Na-2H]-	275.174096	165.8
[M]+	254.19888142	159.6
[M]-	254.19997858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.