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 156.6
[M+Na]+ 260.13694 162.5
[M-H]- 236.14044 158.4
[M+NH4]+ 255.18154 172.5
[M+K]+ 276.11088 160.8
[M+H-H2O]+ 220.14498 149.4
[M+HCOO]- 282.14592 178.4
[M+CH3COO]- 296.16157 195.8
[M+Na-2H]- 258.12239 161.7
[M]+ 237.14717 156.8
[M]- 237.14827 156.8
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