CID 59455734

1187055-61-3

Structural Information

Molecular Formula
C11H13F3N2O2
SMILES
CC(C)(C)OC(=O)NC1=CN=CC(=C1)C(F)(F)F
InChI
InChI=1S/C11H13F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h4-6H,1-3H3,(H,16,17)
InChIKey
FPMPSEZVIVLPGK-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(trifluoromethyl)pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

262.09293 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10021 155.5
[M+Na]+ 285.08215 163.4
[M-H]- 261.08565 154.3
[M+NH4]+ 280.12675 171.0
[M+K]+ 301.05609 161.4
[M+H-H2O]+ 245.09019 146.6
[M+HCOO]- 307.09113 172.5
[M+CH3COO]- 321.10678 196.4
[M+Na-2H]- 283.06760 161.0
[M]+ 262.09238 152.9
[M]- 262.09348 152.9
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