CID 85722417

Tert-butyl n-[(6-aminopyridin-2-yl)methyl]carbamate

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)OC(=O)NCC1=NC(=CC=C1)N
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)13-7-8-5-4-6-9(12)14-8/h4-6H,7H2,1-3H3,(H2,12,14)(H,13,15)
InChIKey
WNAXSDDEBDCQFK-UHFFFAOYSA-N
Compound name
tert-butyl N-[(6-amino-2-pyridinyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

223.13208 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 152.1
[M+Na]+ 246.121298 158.4
[M-H]- 222.124804 154.1
[M+NH4]+ 241.165903 168.5
[M+K]+ 262.095238 156.9
[M+H-H2O]+ 206.129340 145.0
[M+HCOO]- 268.130281 174.2
[M+CH3COO]- 282.145931 192.8
[M+Na-2H]- 244.106746 157.7
[M]+ 223.13153142 151.9
[M]- 223.13262858 151.9
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

patents stripe