CID 165620573

Tert-butyl n-[2-amino-2-(6-methoxypyridin-3-yl)ethyl]carbamate

Structural Information

Molecular Formula
C13H21N3O3
SMILES
CC(C)(C)OC(=O)NCC(C1=CN=C(C=C1)OC)N
InChI
InChI=1S/C13H21N3O3/c1-13(2,3)19-12(17)16-8-10(14)9-5-6-11(18-4)15-7-9/h5-7,10H,8,14H2,1-4H3,(H,16,17)
InChIKey
BOCLNOSBCDSKMX-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-2-(6-methoxy-3-pyridinyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1583 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.165576 163.9
[M+Na]+ 290.147518 169.0
[M-H]- 266.151024 165.6
[M+NH4]+ 285.192123 178.4
[M+K]+ 306.121458 168.2
[M+H-H2O]+ 250.155560 156.4
[M+HCOO]- 312.156501 184.6
[M+CH3COO]- 326.172151 201.9
[M+Na-2H]- 288.132966 167.4
[M]+ 267.15775142 165.2
[M]- 267.15884858 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.