CID 73010463

1253654-25-9

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC(C)(C)OC(=O)NCC1=CNC(=O)C=C1
InChI
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-7-8-4-5-9(14)12-6-8/h4-6H,7H2,1-3H3,(H,12,14)(H,13,15)
InChIKey
JZGBJFCTRGGRMU-UHFFFAOYSA-N
Compound name
tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 150.2
[M+Na]+ 247.10531 157.2
[M-H]- 223.10881 151.4
[M+NH4]+ 242.14991 166.5
[M+K]+ 263.07925 155.1
[M+H-H2O]+ 207.11335 143.8
[M+HCOO]- 269.11429 170.9
[M+CH3COO]- 283.12994 187.1
[M+Na-2H]- 245.09076 156.1
[M]+ 224.11554 150.7
[M]- 224.11664 150.7
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.