CID 53415224

Tert-butyl n-{[2-(methylamino)pyridin-4-yl]methyl}carbamate

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CC(C)(C)OC(=O)NCC1=CC(=NC=C1)NC
InChI
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-8-9-5-6-14-10(7-9)13-4/h5-7H,8H2,1-4H3,(H,13,14)(H,15,16)
InChIKey
NBKQGEVNGRACDN-UHFFFAOYSA-N
Compound name
tert-butyl N-[[2-(methylamino)-4-pyridinyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.14772 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.154996 156.2
[M+Na]+ 260.136938 162.1
[M-H]- 236.140444 158.6
[M+NH4]+ 255.181543 172.4
[M+K]+ 276.110878 160.7
[M+H-H2O]+ 220.144980 149.0
[M+HCOO]- 282.145921 178.7
[M+CH3COO]- 296.161571 196.4
[M+Na-2H]- 258.122386 162.4
[M]+ 237.14717142 157.4
[M]- 237.14826858 157.4
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.