CID 89931213

1402429-03-1

Structural Information

Molecular Formula
C9H16F3NO3
SMILES
CC(C)(C)OC(=O)NC(CCO)C(F)(F)F
InChI
InChI=1S/C9H16F3NO3/c1-8(2,3)16-7(15)13-6(4-5-14)9(10,11)12/h6,14H,4-5H2,1-3H3,(H,13,15)
InChIKey
TZWCTEOOFZIQRY-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

243.10823 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11551 151.8
[M+Na]+ 266.09745 157.5
[M-H]- 242.10095 146.8
[M+NH4]+ 261.14205 168.5
[M+K]+ 282.07139 157.0
[M+H-H2O]+ 226.10549 144.9
[M+HCOO]- 288.10643 166.9
[M+CH3COO]- 302.12208 191.5
[M+Na-2H]- 264.08290 154.5
[M]+ 243.10768 148.7
[M]- 243.10878 148.7
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