CID 57436251

1039356-92-7

Structural Information

Molecular Formula
C10H18F3NO3
SMILES
CC(C)(C)OC(=O)NC(C(C)(C)O)C(F)(F)F
InChI
InChI=1S/C10H18F3NO3/c1-8(2,3)17-7(15)14-6(9(4,5)16)10(11,12)13/h6,16H,1-5H3,(H,14,15)
InChIKey
GVPGALPCOIOGRT-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

257.12387 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13115 154.5
[M+Na]+ 280.11309 160.2
[M-H]- 256.11659 149.6
[M+NH4]+ 275.15769 170.7
[M+K]+ 296.08703 160.1
[M+H-H2O]+ 240.12113 148.2
[M+HCOO]- 302.12207 167.7
[M+CH3COO]- 316.13772 195.1
[M+Na-2H]- 278.09854 158.0
[M]+ 257.12332 151.1
[M]- 257.12442 151.1
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