CID 165704357

Tert-butyl n-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)carbamate

Structural Information

Molecular Formula
C9H16F3NO3
SMILES
CC(C)(C)OC(=O)NC(C)(CO)C(F)(F)F
InChI
InChI=1S/C9H16F3NO3/c1-7(2,3)16-6(15)13-8(4,5-14)9(10,11)12/h14H,5H2,1-4H3,(H,13,15)
InChIKey
QRQGGCJPLHOZLU-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10823 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11551 150.9
[M+Na]+ 266.09745 157.2
[M-H]- 242.10095 146.1
[M+NH4]+ 261.14205 167.7
[M+K]+ 282.07139 156.8
[M+H-H2O]+ 226.10549 144.6
[M+HCOO]- 288.10643 165.4
[M+CH3COO]- 302.12208 191.3
[M+Na-2H]- 264.08290 156.0
[M]+ 243.10768 147.8
[M]- 243.10878 147.8
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.