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-methoxypyridin-3-yl)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]+ 268.16558 163.9
[M+Na]+ 290.14752 169.0
[M-H]- 266.15102 165.6
[M+NH4]+ 285.19212 178.4
[M+K]+ 306.12146 168.2
[M+H-H2O]+ 250.15556 156.4
[M+HCOO]- 312.15650 184.6
[M+CH3COO]- 326.17215 201.9
[M+Na-2H]- 288.13297 167.4
[M]+ 267.15775 165.2
[M]- 267.15885 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.