CID 138040185

2196248-82-3

Structural Information

Molecular Formula
C12H19N3O3
SMILES
CC(C)(C)OC(=O)NCCOC1=CC(=NC=C1)N
InChI
InChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15-6-7-17-9-4-5-14-10(13)8-9/h4-5,8H,6-7H2,1-3H3,(H2,13,14)(H,15,16)
InChIKey
JTYOTJZBQLIGGW-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-aminopyridin-4-yl)oxyethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.14264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14992 159.2
[M+Na]+ 276.13186 165.0
[M-H]- 252.13536 161.0
[M+NH4]+ 271.17646 174.4
[M+K]+ 292.10580 163.8
[M+H-H2O]+ 236.13990 151.7
[M+HCOO]- 298.14084 181.3
[M+CH3COO]- 312.15649 198.0
[M+Na-2H]- 274.11731 164.4
[M]+ 253.14209 160.8
[M]- 253.14319 160.8
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