CID 53923225

214471-76-8

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CC(C)(C)OC(=O)NCC1=CC=CC(=N1)CN
InChI
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-8-10-6-4-5-9(7-13)15-10/h4-6H,7-8,13H2,1-3H3,(H,14,16)
InChIKey
ILXWORJMVDQZKE-UHFFFAOYSA-N
Compound name
tert-butyl N-[[6-(aminomethyl)pyridin-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

237.14772 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 155.8
[M+Na]+ 260.13694 164.9
[M+NH4]+ 255.18154 161.7
[M+K]+ 276.11088 160.6
[M-H]- 236.14044 156.4
[M+Na-2H]- 258.12239 160.5
[M]+ 237.14717 156.9
[M]- 237.14827 156.9
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