CID 57906529

474809-21-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

223.13208 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 151.4
[M+Na]+ 246.12130 160.6
[M+NH4]+ 241.16590 157.4
[M+K]+ 262.09524 156.6
[M-H]- 222.12480 152.0
[M+Na-2H]- 244.10675 156.3
[M]+ 223.13153 152.5
[M]- 223.13263 152.5
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