CID 89670239

1446091-81-1

Structural Information

Molecular Formula
C11H13FN2O3
SMILES
CC(C)(C)OC(=O)NC1=NC=CC(=C1C=O)F
InChI
InChI=1S/C11H13FN2O3/c1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKey
XXPVTUVMTHAICX-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-fluoro-3-formylpyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

240.09102 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09830 151.4
[M+Na]+ 263.08024 159.8
[M-H]- 239.08374 153.0
[M+NH4]+ 258.12484 167.9
[M+K]+ 279.05418 158.2
[M+H-H2O]+ 223.08828 144.0
[M+HCOO]- 285.08922 172.5
[M+CH3COO]- 299.10487 193.5
[M+Na-2H]- 261.06569 156.6
[M]+ 240.09047 153.0
[M]- 240.09157 153.0
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