CID 75175985

Tert-butyl ((1-methyl-5-(trifluoromethyl)-1h-pyrazol-3-yl)methyl)carbamate

Structural Information

Molecular Formula
C11H16F3N3O2
SMILES
CC(C)(C)OC(=O)NCC1=NN(C(=C1)C(F)(F)F)C
InChI
InChI=1S/C11H16F3N3O2/c1-10(2,3)19-9(18)15-6-7-5-8(11(12,13)14)17(4)16-7/h5H,6H2,1-4H3,(H,15,18)
InChIKey
DAQDUHOHFXLSIG-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.11948 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12676 160.9
[M+Na]+ 302.10870 169.4
[M-H]- 278.11220 158.7
[M+NH4]+ 297.15330 176.4
[M+K]+ 318.08264 167.6
[M+H-H2O]+ 262.11674 152.0
[M+HCOO]- 324.11768 177.3
[M+CH3COO]- 338.13333 200.3
[M+Na-2H]- 300.09415 163.7
[M]+ 279.11893 159.8
[M]- 279.12003 159.8
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

No patent data available for this compound.