CID 145711816

Tert-butyl ((3,5-difluoropyridin-2-yl)methyl)carbamate

Structural Information

Molecular Formula
C11H14F2N2O2
SMILES
CC(C)(C)OC(=O)NCC1=C(C=C(C=N1)F)F
InChI
InChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15-6-9-8(13)4-7(12)5-14-9/h4-5H,6H2,1-3H3,(H,15,16)
InChIKey
ZNBCKQLESRBLPV-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3,5-difluoropyridin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10234 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10962 152.7
[M+Na]+ 267.09156 161.0
[M-H]- 243.09506 152.8
[M+NH4]+ 262.13616 169.1
[M+K]+ 283.06550 158.9
[M+H-H2O]+ 227.09960 144.3
[M+HCOO]- 289.10054 172.3
[M+CH3COO]- 303.11619 195.0
[M+Na-2H]- 265.07701 157.1
[M]+ 244.10179 152.3
[M]- 244.10289 152.3
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.